Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0192)
Drug Name
Benzatropine
Synonyms
Benzatropina; Benzatropina [INN-Spanish]; Benzatropine; Benzatropinum; Benzatropinum [INN-Latin]; Benztropinum; Cobrentin; Cogentin; Cogentine; Akitan; Cogentinol; Tropine benzohydryl ether; benztropine; (3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; 1NHL2J4X8K; 3alpha-(Diphenylmethoxy)-1alphaH,5alphaH-tropane; 3alpha-(diphenylmethoxy)tropane; 3alpha-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; 3endo-benzhydryloxytropane; 86-13-5; CHEBI:3048; HSDB 3014; NCGC00159471-02; NK 02; UNII-1NHL2J4X8K
Indication Agitation/aggression [ICD11: 6D86] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 307.4 Topological Polar Surface Area 12.5
Heavy Atom Count 23 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
1201549
ChEBI ID
CHEBI:3048
CAS Number
86-13-5
Formula
C21H25NO
Canonical SMILES
CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?
InChIKey
GIJXKZJWITVLHI-YOFSQIOKSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
4'-hydroxybenztropine DM005392 N. A. Oxidation - Hydrolyzationn 1 [3]
Benztropine-N-oxide DM005386 N. A. Oxidation - N-oxidation 1 [3]
N-desmethylbenztropine DM005389
10085780
Oxidation - N-demethylation 1 [3]
Tropine DM005396
8424
Unclear 1 [3]
4'- O-glucuronylbenztropine DM005395 N. A. Conjugation - Glucuronidation 2 [3]
4'-hydroxybenztropine-N-oxide DM005387 N. A. Oxidation - Hydrolyzationn 2 [3]
Methoxy-4'-hydroxy-benztropine DM005393 N. A. Unclear 2 [3]
N-desmethyl-4'-hydroxy benztropine DM005390 N. A. Oxidation - Hydrolyzationn 2 [3]
4'-O-glucuronyl-benztropine N-oxide DM005388 N. A. Conjugation - Glucuronidation 3 [3]
Methoxy-4'-O- glucuronylbenztropine DM005394 N. A. Conjugation - Glucuronidation 3 [3]
N-desmethyl- 4'- O-glucuronyl-benztropine DM005391 N. A. Conjugation - Glucuronidation 3 [3]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005712 Benzatropine Benztropine-N-oxide Oxidation - N-oxidation Unclear [3]
MR005715 Benzatropine N-desmethylbenztropine Oxidation - N-demethylation Unclear [3]
MR005718 Benzatropine 4'-hydroxybenztropine Oxidation - Hydrolyzationn Unclear [3]
MR005722 Benzatropine Tropine Unclear Unclear [3]
MR005719 4'-hydroxybenztropine Methoxy-4'-hydroxy-benztropine Unclear Unclear [3]
MR005721 4'-hydroxybenztropine 4'- O-glucuronylbenztropine Conjugation - Glucuronidation Unclear [3]
MR005713 Benztropine-N-oxide 4'-hydroxybenztropine-N-oxide Oxidation - Hydrolyzationn Unclear [3]
MR005716 N-desmethylbenztropine N-desmethyl-4'-hydroxy benztropine Oxidation - Hydrolyzationn Unclear [3]
MR005714 4'-hydroxybenztropine-N-oxide 4'-O-glucuronyl-benztropine N-oxide Conjugation - Glucuronidation Unclear [3]
MR005720 Methoxy-4'-hydroxy-benztropine Methoxy-4'-O- glucuronylbenztropine Conjugation - Glucuronidation Unclear [3]
MR005717 N-desmethyl-4'-hydroxy benztropine N-desmethyl- 4'- O-glucuronyl-benztropine Conjugation - Glucuronidation Unclear [3]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Benzatropine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Transport, metabolism, and in vivo population pharmacokinetics of the chloro benztropine analogs, a class of compounds extensively evaluated in animal models of drug abuse. J Pharmacol Exp Ther. 2007 Jan;320(1):344-53.
3 Phase I and II metabolites of benztropine in rat urine and bile

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