DESBUTYL-(.OMEGA.-1)-KETOBUTYL IRBESARTAN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H26N6O2
Molecular Weight	442.5129
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DESBUTYL-(.OMEGA.-1)-KETOBUTYL IRBESARTAN

Structure Search

SMILES

CC(=O)CCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=C(C=CC=C4)C5=NN=NN5

InChI

InChIKey=MIGTZGLTQNODIS-UHFFFAOYSA-N

InChI=1S/C25H26N6O2/c1-17(32)8-13-22-26-25(14-4-5-15-25)24(33)31(22)16-18-9-11-19(12-10-18)20-6-2-3-7-21(20)23-27-29-30-28-23/h2-3,6-7,9-12H,4-5,8,13-16H2,1H3,(H,27,28,29,30)

HIDE SMILES / InChI

Molecular Formula	C25H26N6O2
Molecular Weight	442.5129
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:27:28 UTC 2023` Edited by `admin` on `Sat Dec 16 09:27:28 UTC 2023`
Record UNII	805800E144
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESBUTYL-(.OMEGA.-1)-KETOBUTYL IRBESARTAN

Common Name

English

IRBESARTAN METABOLITE 6

Common Name

English

1,3-DIAZASPIRO(4.4)NON-1-EN-4-ONE, 2-(3-OXOBUTYL)-3-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

805800E144

Created by admin on Sat Dec 16 09:27:28 UTC 2023 , Edited by admin on Sat Dec 16 09:27:28 UTC 2023

PRIMARY

PUBCHEM

91800165

Created by admin on Sat Dec 16 09:27:28 UTC 2023 , Edited by admin on Sat Dec 16 09:27:28 UTC 2023

PRIMARY

CAS

208923-65-3

Created by admin on Sat Dec 16 09:27:28 UTC 2023 , Edited by admin on Sat Dec 16 09:27:28 UTC 2023

PRIMARY

Related Record Type Details


					J0E2756Z7N

IRBESARTAN

PARENT -> METABOLITE

Comments:

M5+M6+M7 is 24.2(iv) and 25.3 (oral) in feces. Plasma content should be very low

Qualification:

URINE

Amount: