CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00052516" in compound.

Total 1 results found.

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

Search Results

CFAM Mol ID CFAMM00052516
Family CFFAD355 Calcium-activated potassium channel subunit alpha-1 Ligand Quinine Family
Superfamily CFSAD303 Calcium-activated potassium channel subunit alpha-1 Ligand Quinine Superfamily
Class CFCAD284 Class 284
External ID CHEMBL2096628 External Source CHEMBL
PubChem CID 64640 Functional Category Bioactive
Molecule Name Quinidine sulfate hydrate
IUPAC Name (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
Synonyms Quinidine sulfate monohydrate;Quinidine sulfate;Quinidine, hemisulfate, hydrate;Quinidine, sulfate, hydrate (2:1:2);Quinidine sulfate (2:1) (salt) monohydrate;Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (2:1) (salt), monohydrate;6-Methoxy-alpha-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol hemisulfate hydrate;UNII-J13S2394HE;Quinidex (TN);Quinidine sulfate (USP)
InChi InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14?,19+,20-;;;/m00.../s1
InChiKey ZHNFLHYOFXQIOW-YKSBFIEBSA-N
Formula C40H54N4O10S Molecular Weight 782.94
Cross Link CHEMBL2096628
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
 

 

81570 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00052516'),None, txtsearch, CFAMM00052516|