Home Cart Sign in  
Chemical Structure| 5835-79-0 Chemical Structure| 5835-79-0

Structure of 5835-79-0

Chemical Structure| 5835-79-0

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 5835-79-0 ]

CAS No. :5835-79-0
Formula : C8H17NO2
M.W : 159.23
SMILES Code : OCCCCN1CCOCC1
MDL No. :MFCD03211280
InChI Key :URFFPMJFOHTCLI-UHFFFAOYSA-N
Pubchem ID :16641259

Safety of [ 5835-79-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H319
Precautionary Statements:P305+P351+P338

Computational Chemistry of [ 5835-79-0 ] Show Less

Physicochemical Properties

Num. heavy atoms 11
Num. arom. heavy atoms 0
Fraction Csp3 1.0
Num. rotatable bonds 4
Num. H-bond acceptors 3.0
Num. H-bond donors 1.0
Molar Refractivity 47.51
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

32.7 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

2.1
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

-0.08
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

-0.29
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

0.02
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

1.12
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

0.57

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-0.51
Solubility 48.9 mg/ml ; 0.307 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-0.15
Solubility 111.0 mg/ml ; 0.7 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-1.1
Solubility 12.7 mg/ml ; 0.0798 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

No
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

Yes
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

No
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

No
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

No
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-7.33 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

1.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

0.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<1.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

1.58

Application In Synthesis of [ 5835-79-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 5835-79-0 ]

[ 5835-79-0 ] Synthesis Path-Downstream   1~26

  • 1
  • [ 110-91-8 ]
  • [ 110-63-4 ]
  • [ 5835-79-0 ]
  • [ 53161-64-1 ]
  • 2
  • [ 110-91-8 ]
  • [ 928-51-8 ]
  • [ 5835-79-0 ]
YieldReaction ConditionsOperation in experiment
35% EXAMPLE 3; l -(4-Hydroxybutyl)morpholine was prepared as follows. In a 250 mL flask was mixed morpholine (65.5 g, 750 mmol), 4-chlorobutanol (27.2 g, 250 mmol), sodium iodide (3.8 g, 25 mmol) and 75 mL of dioxane. The reaction was heated to reflux. <n="76"/>After 2 days the reaction was allowed to cool to ambient temperature. Solvent was removed by rotary evaporation leaving a brown oil. The oil was dissolved in 100 mL of 2N NaOH, extracted with EtOAc and dried over Na2SO4. After filtration of the drying agent solvent was removed in vacuo leaving an orange oil. The oil was distilled (90 0C, 1 mm Hg), leaving 1 - (4-hydroxylbutyl)morpholine ( 13.9 g, 87 mmol, 35 % yield) as a colorless oil.
  • 3
  • [ 110-91-8 ]
  • [ 4753-59-7 ]
  • [ 5835-79-0 ]
  • 4
  • [ 5835-79-0 ]
  • [ 5271-67-0 ]
  • thiophene-2-carboxylic acid-(4-morpholino-butyl ester); hydrochloride [ No CAS ]
  • 5
  • [ 5835-79-0 ]
  • [ 1871-76-7 ]
  • diphenyl-acetic acid-(4-morpholino-butyl ester) [ No CAS ]
  • 6
  • [ 5835-79-0 ]
  • [ 4521-61-3 ]
  • [ 32066-00-5 ]
  • 7
  • [ 5835-79-0 ]
  • [ 10263-19-1 ]
  • [ 102466-21-7 ]
  • 8
  • [ 5835-79-0 ]
  • [ 98997-74-1 ]
  • 9
  • [ 5835-79-0 ]
  • [ 15307-86-5 ]
  • [2-(2,6-Dichloro-phenylamino)-phenyl]-acetic acid 4-morpholin-4-yl-butyl ester [ No CAS ]
  • 10
  • [ 5471-53-4 ]
  • [ 5835-79-0 ]
  • 11
  • [ 5835-79-0 ]
  • [ 51091-84-0 ]
  • [ 775327-57-6 ]
  • 12
  • 1-[4-(4-morpholinyl)-butyl] acetate [ No CAS ]
  • [ 5835-79-0 ]
  • 13
  • [ 5835-79-0 ]
  • [ 4394-00-7 ]
  • [ 929257-58-9 ]
  • 14
  • [ 929257-58-9 ]
  • [ 5835-79-0 ]
  • [ 4394-00-7 ]
  • 15
  • [ 88217-57-6 ]
  • [ 5835-79-0 ]
  • 16
  • [ 5835-79-0 ]
  • C21H24ClN3O2Si [ No CAS ]
  • [ 557-21-1 ]
  • C24H25N5O2 [ No CAS ]
  • 17
  • [ 5807-11-4 ]
  • [ 5835-79-0 ]
  • 18
  • [ 5835-79-0 ]
  • <i>S</i>-(4-morpholino-butyl)-isothiourea; dihydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
B. Similarly prepared by use of the appropriate secondary amines and the appropriate omega-haloalcohols are the following N,N-disubstituted aminoalcohols: 4-(4-morpholinyl)butanol; 4-(1-piperidinyl)butanol; 4-(1-pyrrolidinyl)butanol; 4-(N,N-diphenylamino)butanol; 4-(N,N-dimethylamino)butanol; ...
  • 20
  • [ 5835-79-0 ]
  • [ 69542-93-4 ]
  • [ 1030608-72-0 ]
YieldReaction ConditionsOperation in experiment
36% Into a 100 mL flask fitted with a Dean-Stark trap were added l -(4- hydroxybutyl)- morpholine ( 13.2 g, 83 mmol), 4-(pivalamido)butanoic acid (1 1.1 g, 59 mmol), p-toluencsulfonic acid ( 1.1 g, 5.9 mmol) and 55 mL of toluene. The reaction was heated to reflux. Conversion was periodically checked by HPLC (ELSD) and after 7 days -80% conversion was observed. The reaction was allowed to cool to ambient temperature, was poured into saturated NaHCO3, extracted with EtOAc (2 x 250 mL), washed with saturated NaI lCO3 and water and dried over Na2SO4. After filtration of the drying agent solvent was removed in vacuo at 90 0C leaving 7 g of the product (see reaction below) (21 mmol, 36 % yield; >99 % pure by HPLC) as a brown oil. The spectra for the product of this reaction are shown in FlGs 13- 16.
  • 21
  • [ 5835-79-0 ]
  • [ 5807-07-8 ]
YieldReaction ConditionsOperation in experiment
94% Neat DMSO (2.7 mL, 37.8 mmol) was added to a -78 0C CH2Cl2 solution (25 mL) of oxalyl chloride (2.6 mL, 30.3 mmol). After 10 min at -78 0C a CH2Cl2 solution (25 mL) solution of 4-(4-morpholinyl)-l-butanol (2.4 g, 15.1 mmol) was added. After 10 min at -78 0C neat triethylamine (8.4 mL, 60.5 mmol) was added, stirred for 10 min at -78 0C, then allowed to warm to 0 0C and stirred for an additional 30 min. The resulting white suspension was poured into diethyl ether and the suspension was filtered. The filtrate was concentrated and purified by column chromatography to afford 2.2 g of the title compound, as a brown liquid (2.23 g, 94%).
  • 22
  • [ 5835-79-0 ]
  • [ 45022-27-3 ]
  • [ 1448896-84-1 ]
YieldReaction ConditionsOperation in experiment
General procedure: General Procedure C Preparation of Mono-Esters of Fumaric Acid Coupling Reaction of Morpholin-4-ylalkyl-1-ol with Fumaric Acid [0429] [0430] Fumaric acid (1.0 eq.) is dissolved in an inert solvent such as dichloromethane (DCM), N,N-dimethylformamide (DMF), N-methylpyrrolidone (NMP), or N,N-dimethylacetamide (DMA, DMAc) (ca. 3 mL/mmol) and the solution is treated with 1.0-1.5 eq. of a carbodiimide dehydration agent such as 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDAC, EDC), N,N-diisopropylcarbodiimide (DIC), N,N-dicyclohexyl-carbodiimide (DCC) at a temperature from ca. 0 C. (ice bath) to room temperature. The mixture is then reacted with a solution of an appropriately functionalized of morpholin-4-ylalkyl-1-ol (1.0-1.5 eq.) in the same solvent. Optionally, a catalytic or stoichiometric amount of 4-(N,N-dimethylaminopyridine (DMAP) is added to the mixture at a temperature from ca. 0° C. to room temperature. When the amine is in a salt form, an equimolar amount of an organic tertiary base, such as triethylamine (TEA), or diisopropylethylamine (DIEA) may be added to free the amine base prior to the coupling step. The reaction mixture is stirred for 4 to 12 hours at room temperature. Optionally the organic solvents are removed under reduced pressure using a rotary evaporator and the residue diluted with an appropriate extraction solvent such as diethyl ether (Et2O), methyl tert-butyl ether (MTBE), ethyl acetate (EtOAc), or others. Water is added to the reaction mixture, the aqueous phase was acidified using 1N hydrochloric acid until aqueous pH reaches to pH 2. After phase separation, the aqueous phase is extracted several times with the same solvent. The combined organic extracts are washed with water, brine, and dried over anhydrous magnesium sulfate (MgSO4). After filtration, the organic solvents are removed under reduced pressure using a rotary evaporator. If required, the crude reaction products are further purified by well-known purification techniques such as silica gel flash column chromatography (i.e., Biotage), mass-guided reversed-phase preparative HPLC/lyophilization, precipitation, or crystallization to yield the pure desired product. Example 15 (4-Morpholinobutyl)fumarate (39) [0471] t-butyl hydrogen fumarate (MHF) (0.2 mol) is activated with 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (EDAC) (47.75 g, 0.25 mol) in 200 mL of dichloromethane (DCM) at ca. 0 C. 4-Morpholin-4ylbutyl-1-ol (31.8 g, 0.2 mol) and 4-N,N-dimethylaminopyridine (DMAP) (1 g, 0.008 mol) were added to the activated carboxylic acid. After work-up and isolation, the crude material is reacted with 50% vol-% trifluoroacetic acid in DCM. The free acid is purified by mass-guided preparative HPLC to afford the title compound (40).
  • 23
  • [ 5835-79-0 ]
  • [ 2756-87-8 ]
  • [ 1448896-52-3 ]
YieldReaction ConditionsOperation in experiment
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0℃; Example 16 Preparation of the MMF Prodrug Methyl 4-morpholin-4-ylbutyl (2E)but-2-ene-1,4-dioate Methyl 4-morpholin-4-ylbutyl (2E)but-2-ene-1,4-dioate Monomethyl fumarate (MMF) was reacted with 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (EDAC) (1.2 eq) in dichloromethane (DCM) at ca. 0 C. 4-Morpholin-4-yl-butan-1-ol (1 eq) and 4-N,N-dimethylaminopyridine (DMAP) (catalytic amount) were added to the activated carboxylic acid. After the completion of the reaction, followed by the work-up of the reaction mixture, the title compound was isolated as a viscous-oil.
  • 24
  • [ 5835-79-0 ]
  • 4-[(5'-fluoro-2'-hydroxybiphenyl-3-yl)sulfonyl]amino}-2-hydroxybenzoic acid [ No CAS ]
  • [ 76-05-1 ]
  • 4-morpholin-4-ylbutyl 4-[(5'-fluoro-2'-hydroxybiphenyl-3-yl)sulfonyl]amino}-2-hydroxybenzoate trifluoroacetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
31% Example 170 General Procedure 11 4-Morpholin-4-ylbutyl 4-[(5?-fluoro-2?-hydroxybiphenyl-3-yl)sulfonyl]amino}-2-hydroxybenzoate trifluoroacetate [0779] 4-[(5?-fluoro-2?-hydroxybiphenyl-3-yl)sulfonyl]amino}-2-hydroxybenzoic acid (Intermediate 16) (20 mg, 0.050 mmol) and thionyl chloride (18 mg, 0.15 mmol) in MeCN (2 mL) was stirred at room temperature for 20 minutes. The reaction mixture was concentrated to half the volume with a stream of nitrogen and a solution of <strong>[5835-79-0]4-morpholin-4-ylbutan-1-ol</strong> (40 mg, 0.25 mmol) in MeCN (1 mL) was added. The reaction mixture was stirred at room temperature for 3 days, and purified by preparative HPLC (acidic system). The title compound was obtained in 31% yield (10.2 mg). MS (ESI+) m/z 545 [M+H]+.
  • 25
  • [ 5835-79-0 ]
  • C20H13FN4O2 [ No CAS ]
  • 4-morpholinobutyl (3-((3-(6-fluoro-1H-indol-1-yl)-6-oxopyridazin-1(6H)-yl)methyl)phenyl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; at 20℃;Inert atmosphere; General procedure: To a solution of 6-substituted pyridazinone 9 (0.5 mmol) in DMF (10 mL) was added Cs2CO3 (0.55 mmol). An appropriately substituted nitro benzyl chloride (0.52 mmol) was added and the resulting mixture was stirred at 40-50 C for 3 h, the solvent was removed under reduced pressure and the residue was dissolved in EtOAc (30 mL), which was then washed with brine (3 × 10 mL). The organic layer was dried over anhydrous Na2SO4 and concentrated in vacuo. The crude product, 2-nitrobenzyl-6-substituted-pyridazin-3(2H)-one (10), was used in the next step without further purification. To a solution of 10 in 95 % ethanol (50 mL) was added acetic acid (10 mmol) followed by slow addition of iron powder (2 mmol). The resulting mixture was stirred for 5 h at 100 C. The mixture was then filtered through celite and the filter cake was washed with 95 % ethanol (3 × 15 mL). The combined ethanol filtrates were evaporated in vacuo and the residue was re-dissolved in ethyl acetate (30 mL). The organic layer was washed with brine (3 × 10 mL) and 2 M NaOH (10 mL) sequentially. The organic layer was dried over anhydrous Na2SO4, evaporated in vacuo to afford 2-aminobenzyl-6-substituted-pyridazin-3(2H)-one (11) as a yellow solid, which was used without further purification. To a stirred solution of 11 and triphosgene (1 mmol) in dry dichloromethane (5 mL) was added triethylamine (2 mmol) under nitrogen atmosphere. A solution of the corresponding alcohol (1 mmol) in dichloromethane (5 mL) was added 5-10 min later and the mixture was stirred at room temperature overnight, diluted with dichloromethane (15 mL) and washed with water (3 × 20 mL). The organic phases were separated, combined, dried over anhydrous Na2SO4 and concentrated in vacuo. The residue was purified by using column chromatography to afford the corresponding product.
  • 26
  • [ 5835-79-0 ]
  • C16H6BrClN2O3 [ No CAS ]
  • 4-morpholinobutyl 9-bromo-5,12-dioxo-5,12-dihydroindolizino[2,3-g]quinoline-6-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dmap; In chloroform; General procedure: The syntheses of compounds 3-20 were carried out accordingto our previously reported method [17]. Briefly, at room temperature,the acid 2 (150 mg, 0.5 mmol) was acyl chlorinated withthionyl chloride (2.5 mL) and then esterized with various alcoholderivatives in chloroform. The reaction mixture was heated underreflux for 5 h to overnight, and cooled to room temperature. Thesolvent was evaporated under reduced pressure. The crude productwas purified by using silica gel column chromatography to give thetarget product.
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 5835-79-0 ]

Alcohols

Chemical Structure| 4441-30-9

A136573 [4441-30-9]

4-(3-Hydroxypropyl)morpholine

Similarity: 0.85

Chemical Structure| 1228947-14-5

A173793 [1228947-14-5]

trans-4-Morpholinocyclohexanol

Similarity: 0.79

Chemical Structure| 622-40-2

A193705 [622-40-2]

2-Morpholinoethanol

Similarity: 0.77

Chemical Structure| 1588441-09-1

A296259 [1588441-09-1]

trans-4-Morpholinocyclohexanol hydrochloride

Similarity: 0.76

Chemical Structure| 10213-78-2

A204410 [10213-78-2]

2,2'-(Octadecylazanediyl)diethanol

Similarity: 0.74

Related Parent Nucleus of
[ 5835-79-0 ]

Morpholines

Chemical Structure| 1005-67-0

A112838 [1005-67-0]

4-Butylmorpholine

Similarity: 0.96

Chemical Structure| 4441-30-9

A136573 [4441-30-9]

4-(3-Hydroxypropyl)morpholine

Similarity: 0.85

Chemical Structure| 123-00-2

A108533 [123-00-2]

3-Morpholinopropan-1-amine

Similarity: 0.85

Chemical Structure| 1228947-14-5

A173793 [1228947-14-5]

trans-4-Morpholinocyclohexanol

Similarity: 0.79

Chemical Structure| 412356-24-2

A485951 [412356-24-2]

trans-4-Morpholinocyclohexanamine dihydrochloride

Similarity: 0.78