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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H36N6O7
Molecular Weight 604.6535
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRBESARTAN N2-GLUCURONIDE

SMILES

CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=C(C=CC=C4)C5=NN(N=N5)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O

InChI

InChIKey=FVBDVTHTYLLSQE-NLMMERCGSA-N
InChI=1S/C31H36N6O7/c1-2-3-10-22-32-31(15-6-7-16-31)30(43)36(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)27-33-35-37(34-27)28-25(40)23(38)24(39)26(44-28)29(41)42/h4-5,8-9,11-14,23-26,28,38-40H,2-3,6-7,10,15-17H2,1H3,(H,41,42)/t23-,24-,25+,26-,28+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
IRBESARTAN N2-GLUCURONIDE
Common Name English
IRBESARTAN METABOLITE 8
Common Name English
IRBESARTAN N-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-(4'-((2-BUTYL-4-OXO-1,3-DIAZASPIRO(4.4)NON-1-EN-3-YL)METHYL)(1,1'-BIPHENYL)-2-YL)-2H-TETRAZOL-2-YL)-1-DEOXY-
Systematic Name English
IRBESARTAN N-.BETA.-D-GLUCURONIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
76973419
Created by admin on Sat Dec 16 10:10:36 GMT 2023 , Edited by admin on Sat Dec 16 10:10:36 GMT 2023
PRIMARY
FDA UNII
629HS7NZK3
Created by admin on Sat Dec 16 10:10:36 GMT 2023 , Edited by admin on Sat Dec 16 10:10:36 GMT 2023
PRIMARY
CAS
160205-58-3
Created by admin on Sat Dec 16 10:10:36 GMT 2023 , Edited by admin on Sat Dec 16 10:10:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID90936248
Created by admin on Sat Dec 16 10:10:36 GMT 2023 , Edited by admin on Sat Dec 16 10:10:36 GMT 2023
PRIMARY