Debendox

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;butanedioic acid;2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;dihydrochloride

Also Known As: Debendox|Bendectin|Lenotan|Bendectin (old formulation)|Dicyclomine hydrochloride mixure with doxylamine succinate and pyridoxine hydrochloride|4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; butanedioic acid; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate; N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine; dihydrochloride|Butanedioic acid, compd. with N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine (1:1), mixt. with 2-(diethylamino)ethyl (1,1'-bicyclohexyl)-1-carboxylate hydrochloride and 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|Butanedioic acid, compd. with N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine (1:1),mixt. with 2-(diethylamino)ethyl(1,1'-bicyclohexyl)-1-carboxylate hydrochloride and 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|Doxylamine succinate mixt. with 2-(diethylamino)ethyl (1,1'-bicyclohexyl)-1-carboxylate hydrochloride and 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride

Molecular Formula	C48H76Cl2N4O10
Molecular Weight	938.49384 g/mol
LogP	8.18512
Topological Polar Surface Area	203.08 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	18
Exact Mass	938.49384
Monoisotopic Mass	938.49384
Heavy Atoms	64
Complexity	1670.828

Chemical Identifiers

CAS Number	8064-77-5
SMILES	CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.CC1=NC=C(C(=C1O)CO)CO.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O.Cl.Cl