1(3H)-ISOBENZOFURANONE, 3-(3-(SULFOOXY)BUTYL)-

CC(CCC1OC(=O)C2=C1C=CC=C2)OS(O)(=O)=O

InChIKey=SFMNWDUMROCEAN-UHFFFAOYSA-N

InChI=1S/C12H14O6S/c1-8(18-19(14,15)16)6-7-11-9-4-2-3-5-10(9)12(13)17-11/h2-5,8,11H,6-7H2,1H3,(H,14,15,16)

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:56:54 GMT 2025` Edited by `admin` on `Wed Apr 02 06:56:54 GMT 2025`
Record UNII	IE0MB63CM0
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

BUTYLPHTHALIDE METABOLITE M7-2

Preferred Name

English

1(3H)-ISOBENZOFURANONE, 3-(3-(SULFOOXY)BUTYL)-

Systematic Name

English

3-(3-(SULFOOXY)BUTYL)-1(3H)-ISOBENZOFURANONE

Systematic Name

English

Code System Code Type Description

FDA UNII

IE0MB63CM0

Created by admin on Wed Apr 02 06:56:54 GMT 2025 , Edited by admin on Wed Apr 02 06:56:54 GMT 2025

PRIMARY

PUBCHEM

146675113

Created by admin on Wed Apr 02 06:56:54 GMT 2025 , Edited by admin on Wed Apr 02 06:56:54 GMT 2025

PRIMARY

CAS

1082068-30-1

Created by admin on Wed Apr 02 06:56:54 GMT 2025 , Edited by admin on Wed Apr 02 06:56:54 GMT 2025

PRIMARY

Related Record Type Details


					822Q956KGM

PARENT -> METABOLITE

Qualification:

PLASMA; URINE