CFam Chemical Families Database
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You are searching for "CFAMM00019077" in compound.

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CFAM Mol ID CFAMM00019077
Family CFFAD96 Nicotinic acetylcholine receptor alpha subunit Ligand benzylisoquinolinium derivative Doxacurium Family
Superfamily CFSAD92 Nicotinic acetylcholine receptor ligand bisbenzyltetrahydroisoquinolinium Superfamily
Class CFCAD92 Class 92
External ID DAP000105 External Source TTD
PubChem CID 47319 Functional Category Approved Drug
Molecule Name Atracurium
IUPAC Name 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Synonyms CHEBI:2914;Atracurium Dibesylate;AC1L2HUF;Prestwick1_000005;Prestwick2_000005;Prestwick3_000005;64228-79-1;UNII-2GQ1IRY63P;AC1Q67HR;BRN 1523633
InChi InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2
InChiKey YXSLJKQTIDHPOT-UHFFFAOYSA-N
Formula C53H72N2O12+2 Molecular Weight 929.14
Cross Link CHEMBL1360 DB00732
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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