CFam Chemical Families Database
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You are searching for "CFAMM00087589" in compound.

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CFAM Mol ID CFAMM00087589
Family CFFAD602 Dopamine reuptake and Noradrenergic re-uptake Inhibitor Cocaine Family
Superfamily CFSAD515 Dopamine reuptake and Noradrenergic re-uptake Inhibitor Cocaine Superfamily
Class CFCAD473 Class 473
External ID DAP000834 External Source TTD
PubChem CID 446220 Functional Category Approved Drug
Molecule Name Cocaine
IUPAC Name methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms Kokain;Cocain;Benzoylmethylecgonine;Cocaine free base;(-)-Cocaine;Neurocaine;Cocaina;cocainum;L-Cocaine;Cocaine solution
InChi InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
InChiKey ZPUCINDJVBIVPJ-LJISPDSOSA-N
Formula C17H21NO4 Molecular Weight 303.35
Cross Link DB00907
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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