benzatropine

Ligand id: 7601

Name: benzatropine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 12.47
Molecular weight 307.19
XLogP 6.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1954))
IUPAC Name
(1R,5S)-3-[di(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
International Nonproprietary Names
INN number INN
292 benzatropine
Synonyms
benztropine | benztropine mesylate | Cogentin®
Database Links
CAS Registry No. 86-13-5 (source: Scifinder)
ChEBI CHEBI:3048
ChEMBL Ligand CHEMBL1201203
DrugBank Ligand DB00245
GtoPdb PubChem SID 223365936
PubChem CID 1201549
Search Google for chemical match using the InChIKey GIJXKZJWITVLHI-PMOLBWCYSA-N
Search Google for chemicals with the same backbone GIJXKZJWITVLHI
Search PubMed clinical trials benzatropine
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Search UniChem for chemical match using the InChIKey GIJXKZJWITVLHI-PMOLBWCYSA-N
Search UniChem for chemicals with the same backbone GIJXKZJWITVLHI
Wikipedia Benzatropine
Comments
Benzatropine (benztropine) is an anticholinergic drug. PubChem CID 1201549 represents an alternative isomer of this compound.
Benzatropine is reported as an inhibitor of the neutral amino acid transporter B0AT1 (SLC6A19) [1], a recently identified molecular target for treatment of type 2 diabetes and related disorders [2]. Note that the mesylate salt was used in the experiments reported in [1].