CFam Chemical Families Database
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You are searching for "CFAMM00112539" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00112539
Family CFFAD909 Nicotinic acetylcholine receptor Ligand Benztropine Mesylate Family
Superfamily CFSAD765 Nicotinic acetylcholine receptor Ligand Benztropine Mesylate Superfamily
Class CFCAD682 Class 682
External ID DAP001460 External Source TTD
PubChem CID 238053 Functional Category Approved Drug
Molecule Name Benztropine mesylate
IUPAC Name 3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
Synonyms Cogentin mesylate;MLS000737056;132-17-2;NSC42199;ST50997629;Benztropine methanesulfonate;Benzotropinemesylate;Benzotropine mesylate;3-(Diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane methane sulfonate;3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane methanesulfonate(1:1)
InChi InChI=1S/C21H25NO.CH4O3S/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;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)
InChiKey CPFJLLXFNPCTDW-UHFFFAOYSA-N
Formula C22H29NO4S Molecular Weight 403.53
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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