IRBESARTAN N2-GLUCURONIDE

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 Search

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

Molecular Formula	C31H36N6O7
Molecular Weight	604.6535
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 `Sat Dec 16 10:10:35 GMT 2023` Edited by `admin` on `Sat Dec 16 10:10:35 GMT 2023`
Record UNII	629HS7NZK3
Record Status	`Validated (UNII)`
Record Version

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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

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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

Related Record Type Details


					J0E2756Z7N

IRBESARTAN

PARENT -> METABOLITE

Comments:

about 5% of the plasma radioactivity

Qualification:

PLASMA; URINE

Amount: