CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00006142" 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 CFAMM00006142
Family CFFAD23 Sodium-dependent dopamine transporter inhibitor substituted phenethylamine derivative Methylphenidate family
Superfamily CFSAD23 Sodium-dependent dopamine transporter inhibitor substituted phenethylamine derivative Methylphenidate Superfamily
Class CFCAD23 Class 23
External ID ZINC00000056 External Source ZINC
PubChem CID 638022 Functional Category Natural Product
Molecule Name (S)-atropinium cation
IUPAC Name [(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Synonyms AC1LCVHC;(S)-atropinium(1+);CHEBI:58164;CTK8B4054;ANW-43779;ZINC00000056;ZINC12503096;AG-D-07898;A800372;(3-endo)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate
InChi InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15?,16-/m1/s1
InChiKey RKUNBYITZUJHSG-VFSICIBPSA-O
Formula C17H24NO3+ Molecular Weight 290.38
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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