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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

Molecular Formula C21H18N2O7
Molecular Weight 410.3768
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:39:56 GMT 2025
Edited
by admin
on Mon Mar 31 23:39:56 GMT 2025
Record UNII
SV3F5P90JR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP 46 45 GLUCURONIDE
Preferred Name English
CGP-4645 GLUCURONIDE
Common Name 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 Mon Mar 31 23:39:56 GMT 2025 , Edited by admin on Mon Mar 31 23:39:56 GMT 2025
PRIMARY
PUBCHEM
91800273
Created by admin on Mon Mar 31 23:39:56 GMT 2025 , Edited by admin on Mon Mar 31 23:39:56 GMT 2025
PRIMARY
FDA UNII
SV3F5P90JR
Created by admin on Mon Mar 31 23:39:56 GMT 2025 , Edited by admin on Mon Mar 31 23:39:56 GMT 2025
PRIMARY
Related Record Type Details
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