CFam Chemical Families Database
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You are searching for "CFAMM00019106" in compound.

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CFAM Mol ID CFAMM00019106
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 DAP000355 External Source TTD
PubChem CID 60169 Functional Category Approved Drug
Molecule Name Doxacurium
IUPAC Name bis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate
Synonyms Doxacurii chloridum;Nuromax;AC1L1SOW;C07549;AC1Q66PG;AGN-PC-00OIC1;CHEMBL1237123;DB01135;DB01334;L000825
InChi InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2
InChiKey GBLRQXKSCRCLBZ-UHFFFAOYSA-N
Formula C56H78N2O16+2 Molecular Weight 1035.22
Cross Link CHEMBL1237123 DB01334
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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