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

CCCCC1(OS(O)(=O)=O)OC(=O)C2=C1C=CC=C2

InChIKey=KKIKGMTVGZZNIP-UHFFFAOYSA-N

InChI=1S/C12H14O6S/c1-2-3-8-12(18-19(14,15)16)10-7-5-4-6-9(10)11(13)17-12/h4-7H,2-3,8H2,1H3,(H,14,15,16)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:08:12 GMT 2025` Edited by `admin` on `Wed Apr 02 08:08:12 GMT 2025`
Record UNII	5TQ6YC4LKD
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

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

Systematic Name

English

BUTYLPHTHALIDE METABOLITE M7-1

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

156596538

Created by admin on Wed Apr 02 08:08:12 GMT 2025 , Edited by admin on Wed Apr 02 08:08:12 GMT 2025

PRIMARY

FDA UNII

5TQ6YC4LKD

Created by admin on Wed Apr 02 08:08:12 GMT 2025 , Edited by admin on Wed Apr 02 08:08:12 GMT 2025

PRIMARY

CAS

1293999-06-0

Created by admin on Wed Apr 02 08:08:12 GMT 2025 , Edited by admin on Wed Apr 02 08:08:12 GMT 2025

PRIMARY

Related Record Type Details


					822Q956KGM

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE