CFam Chemical Families Database
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You are searching for "CFAMM00006461" 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 CFAMM00006461
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 CHEMBL2093958 External Source CHEMBL
PubChem CID 11358065 Functional Category Bioactive
Molecule Name 851764-85-7
IUPAC Name ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
Synonyms (S)-Ethyl 2-phenyl-2-((S)-piperidin-2-yl)acetate hydrochloride;CTK8C0427;L-threo-Ethylphenidate Hydrochloride;ANW-64661;rac-threo-Ethylphenidate Hydrochloride;AKOS016006087;AK103590;KB-211718;(|AR,2R)-rel-|A-Phenyl-2-piperidineacetic Acid Ethyl Ester Hydrochloride
InChi InChI=1S/C15H21NO2.ClH/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3;1H/t13-,14-;/m0./s1
InChiKey ZNSNAOXTBUHNKX-IODNYQNNSA-N
Formula C15H22ClNO2 Molecular Weight 283.79
Cross Link CHEMBL2093958
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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