CFam Chemical Families Database
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You are searching for "CFAMM00116500" in compound.

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CFAM Mol ID CFAMM00116500
Family CFFAD997 Angiotensin-converting enzyme Inhibitor Temocapril Family
Superfamily CFSAD841 Angiotensin-converting enzyme Inhibitor Temocapril Superfamily
Class CFCAD745 Class 745
External ID DNAP001417 External Source TTD
PubChem CID 443873 Functional Category Approved Drug
Molecule Name Temocapril hydrochloride
IUPAC Name 2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;hydrochloride
Synonyms Temocapril HCl;Acecol;CS-622;110221-44-8;NCGC00181345-01;DSSTox_CID_26914;DSSTox_RID_82012;DSSTox_GSID_46914;Temocaprilum;(2S,6R)-6-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid hydrochloride
InChi InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1
InChiKey XDDQNOKKZKHBIX-ASBZXGSUSA-N
Formula C23H29ClN2O5S2 Molecular Weight 513.07
Cross Link CHEMBL2104499 DB08836
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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