CFam Chemical Families Database
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You are searching for "CFAMM00002775" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00002775
Family CFFAD16 D(2) dopamine receptor ligand catecholamine Dopamine family
Superfamily CFSAD16 D(2) dopamine receptor ligand catecholamine Dopamine Superfamily
Class CFCAD16 Class 16
External ID 3609 External Source PubChem
PubChem CID 3609 Functional Category Patent Compound
Molecule Name HEXOPRENALINE
IUPAC Name 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol
Synonyms Etoscol;Gynipral;Esoprenalina [DCIT];Hexoprenaline [INN:BAN];Hexoprenalinum [INN-Latin];Hexoprenalino [INN-Spanish];3215-70-1;Ginipral;1,2-Benzenediol, 4,4'-(1,6-hexanediylbis(imino(1-hydroxy-2,1-ethanediyl)))bis-;1,12-Bis(3,4-dihydroxyphenyl)-3,10-diaza-1,12-dodecandiol
InChi InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2
InChiKey OXLZNBCNGJWPRV-UHFFFAOYSA-N
Formula C22H32N2O6 Molecular Weight 420.50
Cross Link CHEMBL1589896
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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