Structure of CCR5 antagonist 1
CAS No.: 716354-86-8
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
CCR5 antagonist 1 is a CCR5 antagonist which can inhibit HIV replication extracted from WO 2004054974 A2.
4.5
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| CAS No. : | 716354-86-8 |
| Formula : | C39H46ClF2N5O3S |
| M.W : | 738.33 |
| SMILES Code : | O=S(C1=CC(C(N2CCC(CCN3[C@H]4C[C@H](N5C6=CC=CC=C6N=C5C)C[C@@H]3CC4)(C7=CC=CC(F)=C7)CC2)=O)=C(Cl)C=C1F)(NC(C)(C)C)=O |
| MDL No. : | MFCD30747837 |
Clinical Trial:
| NCT Number | Conditions | Phases | Recruitment | Completion Date | Locations |
| NCT00428519 | HIV Infections | Phase 1 | Completed | - | United States, Pennsylvania ... More >> Clinical Trials Unit. University of Pennsylvania Philadelphia, Pennsylvania, United States, 19104 Less << |
| NCT02302547 | HIV | Phase 3 | Completed | - | France ... More >> Unité des Maladies Infectieuses, CHU de CAEN Caen, France, 14033 Service des Maladies Infectieuses, CHR Orléans La Source, ORLEANS CEDEX 2 CHR d'ORLEANS, France, 45067 Service d'Immunologie Clinique centre de Vaccination anti- VIH ANRS Hopital Henri- Mondor Creteil, France, 94010 Service de Médecine Interne et Maladies Infectieuses, Groupe Hospitalier La Rochelle, Cedex 01 La Rochelle, France, 17019 Service de Pneumologie, centre Hospitalier Fontenoy, CH de CHARTRES Le Coudray, France, 28630 CHU de NANCY Nancy, France, 54035 Service des maladies Infectieuses et tropicales, CH GEORGES RENON Niort, France, 79021 Service des Maladies Infectieuses et tropicales, APHP SAINT LOUIS Paris, France, 75475 Hospital Tenon Paris, France, 75970 Centre de diagnostic et thérapeutique, Hopital Hotel Dieu Paris, France, 94010 Consultation Maladies Infectieuses, Chu de Poitiers, Cedex Poitiers, France, 86021 Maladies Infectieuses, CHU de ROUEN Rouen, France, 76031 Service de Médecine Interne, CH de SAINTONGE- BP 326 Saintes, France, 17108 Médecine Interne, Hôpital FOCH Suresnes, France, 92151 Service Universitaire des Maladies Infectieuses et du Voyageur, CH DRON Tourcoing, France, 59200 Service de Medecine Interne et Maladies Infectieuses, CHRU BRETONNEAU, TOURS CEDEX9 Tours, France, 37044 Less << |
| NCT01300988 | HIV Infection | Phase 1 | Completed | - | United States, Pennsylvania ... More >> Clinical Trials Unit. University of Pennsylvania Philadelphia, Pennsylvania, United States, 19104--607 Less << |
| NCT01348308 | HIV-1 Infection ... More >> AIDS Less << | Phase 3 | Completed | - | France ... More >> Hôpital Henri Mondor Creteil, France, 94010 Less << |
| NCT00709111 | HIV Infections | Not Applicable | Completed | - | - |
| NCT01749566 | HIV | Phase 1 | Completed | - | United States, Georgia ... More >> Grady Infectious Diseases Program Atlanta, Georgia, United States, 30303 Less << |
| NCT00709111 | - | Completed | - | - | |
| NCT03767582 | Locally Advanced Pancreatic Du... More >>ctal Adenocarcinoma (PDAC) Pancreatic Ductal Adenocarcinoma Less << | Phase 1 Phase 2 | Not yet recruiting | January 2022 | United States, Maryland ... More >> Sidney Kimmel Comprehensive Cancer Center Not yet recruiting Baltimore, Maryland, United States, 21231 Contact: Susan Sartorius-Mergenthaler, RN 410-614-3644 Sartosu@jhmi.edu Contact: Jane Zorzi, RN 410-614-5818 Jzorzi1@jhmi.edu Less << |
| NCT02990312 | Hiv Kidney Tr... More >>ansplant HIV Reservoir CCR5 Less << | Phase 4 | Recruiting | July 2020 | United States, Maryland ... More >> Institute of human virology Recruiting Baltimore, Maryland, United States, 21201 Contact: Jennifer Husson, MD 410-706-6973 Jhusson@ihv.umaryland.edu Contact: Ilise Marrazzo 4107062564 IMarrazzo@ihv.umaryland.edu Less << |
| NCT01076179 | - | Completed | - | - | |
| NCT00076284 | HIV Infections | Phase 2 | Completed | - | United States, Maryland ... More >> National Institute of Allergy and Infectious Diseases (NIAID) Bethesda, Maryland, United States, 20892 Less << |
| NCT01076179 | - | Completed | - | - | |
| NCT02355184 | HIV Human Imm... More >>unodeficiency Virus Less << | Phase 2 | Active, not recruiting | September 2018 | United States, California ... More >> Quest Clinical Research San Francisco, California, United States, 94115 Less << |
| NCT00795444 | HIV-1 | Phase 2 | Completed | - | Spain ... More >> Hospital Universitario Ramon Y Cajal Madrid, Spain, 28034 Less << |
| NCT00703586 | HIV Infections | Phase 1 | Completed | - | United States, New York ... More >> Rockefeller University Hospital New York, New York, United States, 10065 Less << |
| NCT00197197 | HIV Infection | Phase 3 | Terminated(The study was termi... More >>nated due to hepatoxicity of compound) Less << | - | United States, California ... More >> GSK Investigational Site Los Angeles, California, United States, 90046 United States, Connecticut GSK Investigational Site Norwalk, Connecticut, United States, 06851 United States, Florida GSK Investigational Site Fort Lauderdale, Florida, United States, 33308 GSK Investigational Site Hollywood, Florida, United States, 33020 GSK Investigational Site Plantation, Florida, United States, 33317 United States, Georgia GSK Investigational Site Atlanta, Georgia, United States, 30339 United States, Illinois GSK Investigational Site Chicago, Illinois, United States, 60657 United States, Louisiana GSK Investigational Site New Orleans, Louisiana, United States, 70127-0800 United States, Maryland GSK Investigational Site Baltimore, Maryland, United States, 21201 United States, New Jersey GSK Investigational Site Newark, New Jersey, United States, 07102 United States, Texas GSK Investigational Site Houston, Texas, United States, 77027 Belgium GSK Investigational Site Bruxelles, Belgium, 1000 Less << |
| NCT00393120 | HIV Infections | Phase 2 | Completed | - | United States, California ... More >> Los Angeles, California, United States, 90069 United States, District of Columbia Washington, District of Columbia, United States, 20007 United States, Florida Orlando, Florida, United States, 32803 Vero Beach, Florida, United States, 32960 United States, Massachusetts Boston, Massachusetts, United States, 02130 United States, Virginia Annandale, Virginia, United States, 20037 Less << |
| NCT00297076 | HIV Infection | Phase 3 | Terminated | October 2007 | Germany ... More >> GSK Investigational Site Frankfurt, Hessen, Germany, 60590 GSK Investigational Site Hannover, Niedersachsen, Germany, 30159 GSK Investigational Site Hannover, Niedersachsen, Germany, 30625 GSK Investigational Site Duesseldorf, Nordrhein-Westfalen, Germany, 40225 GSK Investigational Site Berlin, Germany, 13353 Less << |
| NCT02486510 | HIV-1 Infection | Early Phase 1 | Terminated(Futility criteria) | - | Spain ... More >> Hospital Universitario Ramon Y Cajal Madrid, Spain, 28034 Hospital Universitario La Paz Madrid, Spain, 28046 Less << |
| NCT00766597 | - | Completed | - | - | |
| NCT00766597 | HIV Infections | Phase 1 Phase 2 | Completed | - | United States, California ... More >> UCSD Mother-Child-Adolescent Program CRS San Diego, California, United States United States, District of Columbia Children's National Med. Ctr. Washington DC NICHD CRS Washington, District of Columbia, United States, 20010 Howard Univ. Washington DC NICHD CRS Washington, District of Columbia, United States, 20060 United States, Illinois Chicago Children's CRS Chicago, Illinois, United States, 60614 United States, New York Jacobi Med. Ctr. Bronx NICHD CRS Bronx, New York, United States, 10461 Bronx-Lebanon Hosp. IMPAACT CRS Bronx, New York, United States Metropolitan Hosp. NICHD CRS New York, New York, United States, 10029 United States, Tennessee St. Jude/UTHSC CRS Memphis, Tennessee, United States, 38105 Puerto Rico Univ. of Puerto Rico Ped. HIV/AIDS Research Program CRS San Juan, Puerto Rico, 00935 Less << |
| NCT02483078 | HIV | Phase 2 Phase 3 | Active, not recruiting | August 2018 | - |
| NCT00197145 | Infection, Human Immunodeficie... More >>ncy Virus I Less << | Phase 3 | Terminated | - | - |
| NCT00123890 | HIV Infection | Phase 3 | Terminated(The study was termi... More >>nated due to hepatoxicity of compound) Less << | - | - |
| NCT02175680 | HIV Human Imm... More >>unodeficiency Virus Less << | Phase 2 | Completed | - | United States, California ... More >> Quest Clinical Research San Francisco, California, United States, 94115 Less << |
| NCT00098722 | HIV Infections | Phase 2 Phase 3 | Completed | - | - |
| NCT00098748 | HIV Infections | Phase 2 Phase 3 | Completed | - | - |
| NCT00098722 | - | Completed | - | - | |
| NCT00098293 | HIV-1 | Phase 3 | Completed | - | - |
| NCT00098306 | HIV Infections | Phase 2 Phase 3 | Completed | - | United States, California ... More >> Pfizer Investigational Site Sacramento, California, United States, 95825 Pfizer Investigational Site San Francisco, California, United States, 94115 Pfizer Investigational Site San Francisco, California, United States, 94118 Pfizer Investigational Site San Francisco, California, United States, 94121 United States, Colorado Pfizer Investigational Site Auroa, Colorado, United States, 80045 Pfizer Investigational Site Aurora, Colorado, United States, 80045 United States, District of Columbia Pfizer Investigational Site Washington, District of Columbia, United States, 20036 United States, Florida Pfizer Investigational Site Tampa, Florida, United States, 33602 Pfizer Investigational Site Tampa, Florida, United States, 33614 Pfizer Investigational Site Vero Beach, Florida, United States, 32960 United States, Georgia Pfizer Investigational Site Atlanta, Georgia, United States, 30308 United States, Louisiana Pfizer Investigational Site New Orleans, Louisiana, United States, 70112 United States, New Mexico Pfizer Investigational Site Santa Fe, New Mexico, United States, 87505 United States, New York Pfizer Investigational Site Bronx, New York, United States, 10467 Pfizer Investigational Site New York, New York, United States, 10003 Pfizer Investigational Site Rochester, New York, United States, 14642 United States, Ohio Pfizer Investigational Site Cincinnati, Ohio, United States, 45267-0405 United States, Oregon Pfizer Investigational Site Portland, Oregon, United States, 97219 United States, Texas Pfizer Investigational Site Austin, Texas, United States, 78705 United States, Virginia Pfizer Investigational Site Annandale, Virginia, United States, 22003 Canada, British Columbia Pfizer Investigational Site Vancouver, British Columbia, Canada, V6Z 1Y6 Canada, Quebec Pfizer Investigational Site Montreal, Quebec, Canada, H2L 4P9 Less << |
| NCT00808002 | HIV Infections | Phase 3 | Completed | - | Spain ... More >> Hospital Germans Trias i Pujol Badalona, Barcelona, Spain, 08916 Hospital Clinic i Provincial de Barcelona Barcelona, Spain, 08916 Less << |
| NCT01060618 | HIV Infections | Phase 2 Phase 3 | Completed | - | Spain ... More >> Hospital General Universitario Gregorio Marañón Madrid, Spain, 280007 Hospital Ramón y Cajal Madrid, Spain, 28034 Hospital Universitario 12 de Octubre Madrid, Spain, 28041 Hospital Universitario La Paz Madrid, Spain, 28046 Less << |
| NCT00098293 | - | Completed | - | - | |
| NCT01092104 | HIV-1 Infection | Phase 1 Phase 2 | Completed | - | - |
| NCT01378910 | HIV | Phase 4 | Completed | - | Spain ... More >> Hospital Xeral de Vigo Santiago de Compostela, A Coruña, Spain, 15781 Hospital de Elche Elche, Alicante, Spain, 03203 Hospital Son Espases Palma de Mallorca, Baleares, Spain, 07011 H. U. Germans Trias i Pujol Badalona, Barcelona, Spain, 08916 H. de Bellvitge Hospitalet de Llobregat, Barcelona, Spain, 08907 Hospital U. Marqués de Valdecilla Santander, Cantabria, Spain, 39011 Hospital Sta. Lucía/ H. Sta. Mª del Rosell Cartagena, Murcia, Spain, 30203 Hospital General de Castellón Castellón, Valencia, Spain, 12004 Hospital de Cruces Bilbao, Vizcaya, Spain, 48903 Hospital Gral. U. de Alicante Alicante, Spain, 03010 Hospital Vall d'Hebron Barcelona, Spain, 08035 Hospital de Mataró Barcelona, Spain, 08304 Hospital Virgen de las Nieves Granada, Spain, 18014 Hospital U. San Cecilio Granada, Spain, 28012 Hospital U. Gregorio Marañón Madrid, Spain, 28007 Hospital Carlos III Madrid, Spain, 28029 Hospital Ramón y Cajal Madrid, Spain, 28034 Hospital Clínico San Carlos Madrid, Spain, 28040 Hospital Reina Sofía de Murcia Murcia, Spain, 30003 Hospital Sant Pau i Santa Tecla Tarragona, Spain, 43007 Hospital La Fe Valencia, Spain, 46009 Hospital Gral. U. de Valencia Valencia, Spain, 46014 Hospital Arnau de Vilanova Valencia, Spain, 46015 Hospital U. Dr. Peset Valencia, Spain, 46017 Less << |
| NCT00098306 | - | Completed | - | - | |
| NCT00197145 | - | Terminated | - | - | |
| NCT00098748 | - | Completed | - | - |
| Bio Calculators | ||||
| Preparing Stock Solutions | ![]() |
1mg | 5mg | 10mg |
|
1 mM 5 mM 10 mM |
1.35mL 0.27mL 0.14mL |
6.77mL 1.35mL 0.68mL |
13.54mL 2.71mL 1.35mL |
|
Tags: CCR5 antagonist 1 | CCR | HIV | Exosome | Immunology/Inflammation | Anti-Infection | GPCR/G Protein | Tumor Development and Microenvironment Evolution | 716354-86-8
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| P221 | Take any precaution to avoid mixing with combustibles |
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| P230 | Keep wetted |
| P231 | Handle under inert gas. |
| P232 | Protect from moisture. |
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| P263 | Avoid contact during pregnancy/while nursing. |
| P264 | Wash hands thoroughly after handling. |
| P265 | Wash skin thouroughly after handling. |
| P270 | Do not eat, drink or smoke when using this product. |
| P271 | Use only outdoors or in a well-ventilated area. |
| P272 | Contaminated work clothing should not be allowed out of the workplace. |
| P273 | Avoid release to the environment. |
| P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
| P281 | Use personal protective equipment as required. |
| P282 | Wear cold insulating gloves/face shield/eye protection. |
| P283 | Wear fire/flame resistant/retardant clothing. |
| P284 | Wear respiratory protection. |
| P285 | In case of inadequate ventilation wear respiratory protection. |
| P231 + P232 | Handle under inert gas. Protect from moisture. |
| P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
| Code | Phrase |
| P301 | IF SWALLOWED: |
| P304 | IF INHALED: |
| P305 | IF IN EYES: |
| P306 | IF ON CLOTHING: |
| P307 | IF exposed: |
| P308 | IF exposed or concerned: |
| P309 | IF exposed or if you feel unwell: |
| P310 | Immediately call a POISON CENTER or doctor/physician. |
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| P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
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| P330 | Rinse mouth. |
| P331 | Do NOT induce vomiting. |
| P332 | IF SKIN irritation occurs: |
| P333 | If skin irritation or rash occurs: |
| P334 | Immerse in cool water/wrap n wet bandages. |
| P335 | Brush off loose particles from skin. |
| P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
| P337 | If eye irritation persists: |
| P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
| P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
| P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
| P342 | If experiencing respiratory symptoms: |
| P350 | Gently wash with plenty of soap and water. |
| P351 | Rinse cautiously with water for several minutes. |
| P352 | Wash with plenty of soap and water. |
| P353 | Rinse skin with water/shower. |
| P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
| P361 | Remove/Take off immediately all contaminated clothing. |
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| P363 | Wash contaminated clothing before reuse. |
| P370 | In case of fire: |
| P371 | In case of major fire and large quantities: |
| P372 | Explosion risk in case of fire. |
| P373 | DO NOT fight fire when fire reaches explosives. |
| P374 | Fight fire with normal precautions from a reasonable distance. |
| P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
| P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
| P378 | |
| P380 | Evacuate area. |
| P381 | Eliminate all ignition sources if safe to do so. |
| P390 | Absorb spillage to prevent material damage. |
| P391 | Collect spillage. Hazardous to the aquatic environment |
| P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
| P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
| P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
| P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
| P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
| P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
| P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
| P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
| P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
| P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
| P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
| P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
| P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
| P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
| P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
| P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
| P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
| P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
| P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
| P370 + P376 | In case of fire: Stop leak if safe to Do so. |
| P370 + P378 | In case of fire: |
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| P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
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| P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
| P411 + P235 | Keep cool. |
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| H201 | Explosive; mass explosion hazard |
| H202 | Explosive; severe projection hazard |
| H203 | Explosive; fire, blast or projection hazard |
| H204 | Fire or projection hazard |
| H205 | May mass explode in fire |
| H220 | Extremely flammable gas |
| H221 | Flammable gas |
| H222 | Extremely flammable aerosol |
| H223 | Flammable aerosol |
| H224 | Extremely flammable liquid and vapour |
| H225 | Highly flammable liquid and vapour |
| H226 | Flammable liquid and vapour |
| H227 | Combustible liquid |
| H228 | Flammable solid |
| H229 | Pressurized container: may burst if heated |
| H230 | May react explosively even in the absence of air |
| H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
| H240 | Heating may cause an explosion |
| H241 | Heating may cause a fire or explosion |
| H242 | Heating may cause a fire |
| H250 | Catches fire spontaneously if exposed to air |
| H251 | Self-heating; may catch fire |
| H252 | Self-heating in large quantities; may catch fire |
| H260 | In contact with water releases flammable gases which may ignite spontaneously |
| H261 | In contact with water releases flammable gas |
| H270 | May cause or intensify fire; oxidizer |
| H271 | May cause fire or explosion; strong oxidizer |
| H272 | May intensify fire; oxidizer |
| H280 | Contains gas under pressure; may explode if heated |
| H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
| H290 | May be corrosive to metals |
Health hazards | |
| Code | Phrase |
| H300 | Fatal if swallowed |
| H301 | Toxic if swallowed |
| H302 | Harmful if swallowed |
| H303 | May be harmful if swallowed |
| H304 | May be fatal if swallowed and enters airways |
| H305 | May be harmful if swallowed and enters airways |
| H310 | Fatal in contact with skin |
| H311 | Toxic in contact with skin |
| H312 | Harmful in contact with skin |
| H313 | May be harmful in contact with skin |
| H314 | Causes severe skin burns and eye damage |
| H315 | Causes skin irritation |
| H316 | Causes mild skin irritation |
| H317 | May cause an allergic skin reaction |
| H318 | Causes serious eye damage |
| H319 | Causes serious eye irritation |
| H320 | Causes eye irritation |
| H330 | Fatal if inhaled |
| H331 | Toxic if inhaled |
| H332 | Harmful if inhaled |
| H333 | May be harmful if inhaled |
| H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
| H335 | May cause respiratory irritation |
| H336 | May cause drowsiness or dizziness |
| H340 | May cause genetic defects |
| H341 | Suspected of causing genetic defects |
| H350 | May cause cancer |
| H351 | Suspected of causing cancer |
| H360 | May damage fertility or the unborn child |
| H361 | Suspected of damaging fertility or the unborn child |
| H361d | Suspected of damaging the unborn child |
| H362 | May cause harm to breast-fed children |
| H370 | Causes damage to organs |
| H371 | May cause damage to organs |
| H372 | Causes damage to organs through prolonged or repeated exposure |
| H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
| Code | Phrase |
| H400 | Very toxic to aquatic life |
| H401 | Toxic to aquatic life |
| H402 | Harmful to aquatic life |
| H410 | Very toxic to aquatic life with long-lasting effects |
| H411 | Toxic to aquatic life with long-lasting effects |
| H412 | Harmful to aquatic life with long-lasting effects |
| H413 | May cause long-lasting harmful effects to aquatic life |
| H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
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