Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM005385)
DM Name
N-desmethyl-chlorpheniramine
Synonyms
Desmethyl Chlorpheniramine Maleate Salt|22630-25-7|Desmethylchlorphenamine Maleate|(Z)-but-2-enedioic acid;3-(4-chlorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine|(3RS)-3-(4-Chloro-phenyl)-N-methyl-3-(pyridin-2-yl)propan-1-amine Maleate|Chlorophenamine Imp C|AKOS040767868|CS-T-52212|3-(4-chlorophenyl)-N-methyl-3-(2-pyridyl)propan-1-amine;maleic acid|Desmethylchlorphenamine Maleate 1.0 mg/ml in Methanol (as free base)
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 376.8 Topological Polar Surface Area 99.5
Heavy Atom Count 26 Rotatable Bond Count 7
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
PubChem CID
46781155
Complexity
346
Formula
C19H21ClN2O4
Canonical SMILES
CNCCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O
InChI
InChI=1S/C15H17ClN2.C4H4O4/c1-17-11-9-14(15-4-2-3-10-18-15)12-5-7-13(16)8-6-12;5-3(6)1-2-4(7)8/h2-8,10,14,17H,9,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
MGNXGZAZRYTQMW-BTJKTKAUSA-N
IUPAC name
(Z)-but-2-enedioic acid;3-(4-chlorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
Full List of Drug-Metabolizing Enzyme (DME) Related to This DM
DME(s) Producing This DM through Metabolism
DME Name DME ID Reactant Reaction Related Drug REF
Cytochrome P450 2D6 (CYP2D6) DME0009
Dexchlorpheniramine maleate
Oxidation - Demethylation Dexchlorpheniramine maleate [1]
Full List of Drug(s) That Produce This DM By Metabolism
Dexchlorpheniramine maleate DR0465 Approved Rheumatoid arthritis
References
1 The roles of CYP2D6 and stereoselectivity in the clinical pharmacokinetics of chlorpheniramine. Br J Clin Pharmacol. 2002 May;53(5):519-25.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.