CAS 67-92-5|DICYCLOMINE HYDROCHLORIDE|dicyclomine hydrochloride|[Bicyclohexyl]-1-carboxylic acid diethylaminoethyl ester|2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride|Dic...

General Information

Structure

Molecular Formula

C₁₉H₃₆ClNO₂

Molecular Mass

345.94764

Exact Mass

345.24345708

Charge

InChI

InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H

InChIKey

GUBNMFJOJGDCEL-UHFFFAOYSA-N

Canonic Smiles

CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC.Cl

Isomeric Smiles

Cl.CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7454959

LogD (pH = 7.4)

3.3570619

Log P

4.9258933

Molar Refractivity

91.7827

Polarizability

36.56283

Polar Surface Area

29.54

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

DICYCLOMINE HYDROCHLORIDE[Bicyclohexyl]-1-carboxylic acid diethylaminoethyl esterDicyclomine hydrochloride2-(Diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride[1,1-Bicyclohexyl]-1-carboxylic acid 2-(diethylamino)ethyl ester hydrochlorideDicycloMine HydrochlorideDicycloverine HClDicyclomine, Hydrochloride [1,1'-Bicyclohexyl]-1-carboxylic Acid 2-(Diethylamino) Ethyl Ester, Hydrochloride

IUPAC Traditional name

dicyclomine hydrochloride bentyl hydrochloride

IUPAC name

2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride

Names and Identifiers

Registration numbers

CAS Number

67-92-5

EC Number

200-671-1

PubChem SID

16209173924278385