DESNITROTOLCAPONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H12O3
Molecular Weight	228.2433
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(O)C(O)=C2

InChI

InChIKey=YNUSEKORCRKLMQ-UHFFFAOYSA-N

InChI=1S/C14H12O3/c1-9-2-4-10(5-3-9)14(17)11-6-7-12(15)13(16)8-11/h2-8,15-16H,1H3

HIDE SMILES / InChI

Molecular Formula	C14H12O3
Molecular Weight	228.2433
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 `Wed Apr 02 12:47:19 GMT 2025` Edited by `admin` on `Wed Apr 02 12:47:19 GMT 2025`
Record UNII	8FMM5H1WHV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESNITROTOLCAPONE

Common Name

English

TOLCAPONE RELATED COMPOUND A [USP IMPURITY]

Preferred Name

English

TOLCAPONE RELATED COMPOUND A [USP-RS]

Common Name

English

(3,4-DIHYDROXYPHENYL)(4-TOLYL)METHANONE

Systematic Name

English

DESNITROTOLCAPONE [USP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

23509269

Created by admin on Wed Apr 02 12:47:19 GMT 2025 , Edited by admin on Wed Apr 02 12:47:19 GMT 2025

PRIMARY

FDA UNII

8FMM5H1WHV

Created by admin on Wed Apr 02 12:47:19 GMT 2025 , Edited by admin on Wed Apr 02 12:47:19 GMT 2025

PRIMARY

RS_ITEM_NUM

1670218

Created by admin on Wed Apr 02 12:47:19 GMT 2025 , Edited by admin on Wed Apr 02 12:47:19 GMT 2025

PRIMARY

CAS

1391053-03-4

Created by admin on Wed Apr 02 12:47:19 GMT 2025 , Edited by admin on Wed Apr 02 12:47:19 GMT 2025

PRIMARY

Related Record Type Details


					CIF6334OLY

TOLCAPONE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: