CFam Chemical Families Database
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You are searching for "CFAMM00019649" in compound.

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CFAM Mol ID CFAMM00019649
Family CFFAD97 Oestrogen receptor Ligand triphenyl ethylene stilbene derivative Clomifene Family
Superfamily CFSAD93 Oestrogen receptor ligand Clomifene Chlorotrianisene Superfamily
Class CFCAD93 Class 93
External ID CHEMBL221753 External Source CHEMBL
PubChem CID 8478 Functional Category Bioactive
Molecule Name benzethonium chloride
IUPAC Name benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
Synonyms 121-54-0;Phemeride;Quatrachlor;Phemerol Chloride;benzethonium;Solamin;Benzethonii chloridum;Disilyn;Hyamine;Kylacol
InChi InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
InChiKey UREZNYTWGJKWBI-UHFFFAOYSA-M
Formula C27H42NO2.Cl Molecular Weight 448.08
Cross Link CHEMBL221753
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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