U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18N2O7
Molecular Weight 410.3768
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-4645 GLUCURONIDE

SMILES

O[C@H]1[C@H](OC(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=IPWWFVALEDKGPE-BHWDSYMASA-N
InChI=1S/C21H18N2O7/c22-9-11-1-5-13(6-2-11)18(14-7-3-12(10-23)4-8-14)29-21-17(26)15(24)16(25)19(30-21)20(27)28/h1-8,15-19,21,24-26H,(H,27,28)/t15-,16-,17+,19-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CGP-4645 GLUCURONIDE
Common Name English
CGP 46 45 GLUCURONIDE
Code English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, BIS(4-CYANOPHENYL)METHYL
Systematic Name English
Code System Code Type Description
CAS
402491-30-9
Created by admin on Sat Dec 16 11:09:17 GMT 2023 , Edited by admin on Sat Dec 16 11:09:17 GMT 2023
PRIMARY
PUBCHEM
91800273
Created by admin on Sat Dec 16 11:09:17 GMT 2023 , Edited by admin on Sat Dec 16 11:09:17 GMT 2023
PRIMARY
FDA UNII
SV3F5P90JR
Created by admin on Sat Dec 16 11:09:17 GMT 2023 , Edited by admin on Sat Dec 16 11:09:17 GMT 2023
PRIMARY