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

General Information of Drug (ID: DR5066)
Drug Name
Benztropine
Synonyms
Akitan; Benzatropina; Benzatropine; Benzatropinum; Benztropinum; Cobrentin; Cogentine; Cogentinol; Benzatropine [INN]; Benzatropine mesilate; Pms Benztropine; Tropine benzohydryl ether; NK 02; Apo-Benztropine; Benzatropina [INN-Spanish]; Benzatropine (INN); Benzatropine [INN:BAN]; Benzatropinum [INN-Latin]; Cogentin (TN); Benzhydryl 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ether; (1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; (1r,5r)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; (3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; (3-endo)-3-[(diphenylmethyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane; (5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; 3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; 3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; 3alpha-(Diphenylmethoxy)-1alphaH,5alphaH-tropane; 3alpha-(diphenylmethoxy)tropane; 3alpha-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; 3endo-benzhydryloxytropane; 8-Azabicyclo(3.2.1)octane, 3-(diphenylmethoxy)-8-methyl-, endo-(9CI)
Indication Parkinsonism [ICD11: 8A00] 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
TTD Drug ID
D0HQ6N
Formula
C21H25NO
Canonical SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
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. Unclear - Unclear 1 [2]
Benztropine N-oxide DM018895 N. A. Unclear - Unclear 1 [2]
N-desmethylbenztropine DM005389
10085780
Unclear - Unclear 1 [2]
Tropine DM005396
8424
Unclear - Unclear 1 [2]
4'- 0-glucuronylbenztropine DM018899 N. A. Unclear - Unclear 2 [2]
4'-hydroxybenztropine N-oxide DM018896 N. A. Unclear - Unclear 2 [2]
Methoxy-4'- hydroxy-benztropine DM018898 N. A. Unclear - Unclear 2 [2]
N-desmethyl-4'- hydroxybenztropine DM018897 N. A. Unclear - Unclear 2 [2]
N-desmethyl-4'- hydroxybenztropine; DM018902 N. A. Unclear - Unclear 2 [2]
4'-O-glucuronyl-benztropine N-oxide DM005388 N. A. Unclear - Unclear 3 [2]
Methoxy-4'-0- glucuronylbenztropine. DM018901 N. A. Unclear - Unclear 3 [2]
N-desmethyl-4'-O-glucuronyl-benztropie DM018900 N. A. Unclear - Unclear 3 [2]
N-desmethyl-4'-O-glucuronyl-benztropine DM018903 N. A. Unclear - Unclear 3 [2]
⏷ Show the Full List of 13  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011274 Benztropine Benztropine N-oxide Unclear - Unclear Unclear [2]
MR011277 Benztropine 4'-hydroxybenztropine Unclear - Unclear Unclear [2]
MR011284 Benztropine N-desmethylbenztropine Unclear - Unclear Unclear [2]
MR011287 Benztropine Tropine Unclear - Unclear Unclear [2]
MR011278 4'-hydroxybenztropine 4'-hydroxybenztropine N-oxide Unclear - Unclear Unclear [2]
MR011279 4'-hydroxybenztropine N-desmethyl-4'- hydroxybenztropine Unclear - Unclear Unclear [2]
MR011280 4'-hydroxybenztropine Methoxy-4'- hydroxy-benztropine Unclear - Unclear Unclear [2]
MR011281 4'-hydroxybenztropine 4'- 0-glucuronylbenztropine Unclear - Unclear Unclear [2]
MR011275 Benztropine N-oxide 4'-hydroxybenztropine N-oxide Unclear - Unclear Unclear [2]
MR011285 N-desmethylbenztropine N-desmethyl-4'- hydroxybenztropine; Unclear - Unclear Unclear [2]
MR011276 4'-hydroxybenztropine N-oxide 4'-O-glucuronyl-benztropine N-oxide Unclear - Unclear Unclear [2]
MR011283 Methoxy-4'- hydroxy-benztropine Methoxy-4'-0- glucuronylbenztropine. Unclear - Unclear Unclear [2]
MR011282 N-desmethyl-4'- hydroxybenztropine N-desmethyl-4'-O-glucuronyl-benztropie Unclear - Unclear Unclear [2]
MR011286 N-desmethyl-4'- hydroxybenztropine N-desmethyl-4'-O-glucuronyl-benztropine Unclear - Unclear Unclear [2]
⏷ Show the Full List of 14 MR(s)
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7601).
2 Phase I and II metabolites of benztropine in rat urine and bile

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