CFam Chemical Families Database
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You are searching for "CFAMM00126429" in compound.

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CFAM Mol ID CFAMM00126429
Family CFFAD1105 Citric Acid family
Superfamily CFSAD928 Citric Acid Superfamily
Class CFCAD805 Class 805
External ID DNAP001697 External Source TTD
PubChem CID 68654 Functional Category Approved Drug
Molecule Name Citric acid
IUPAC Name disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate
Synonyms Picosulfate sodium;Guttalax;Laxoberon;Picosulfol;Rapilax;Neopax;Evacuol;Laxidogol;Laxoberal;Picolax
InChi InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
InChiKey GOZDTZWAMGHLDY-UHFFFAOYSA-L
Formula C18H13NNa2O8S2 Molecular Weight 481.41
Cross Link CHEMBL1697768
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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