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Details

Stereochemistry ACHIRAL
Molecular Formula C17H12O4
Molecular Weight 280.2748
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLFLAVONE-8-CARBOXYLIC ACID

SMILES

CC1=C(OC2=C(C=CC=C2C(O)=O)C1=O)C3=CC=CC=C3

InChI

InChIKey=KMMBBZOSQNLLMN-UHFFFAOYSA-N
InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C17H12O4
Molecular Weight 280.2748
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
High performance liquid chromatographic determination of 3-methylflavone-8-carboxylic acid, the main active metabolite of flavoxate hydrochloride in human urine.
2007 May 9
3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid.
2008 Apr 16
Liquid chromatographic fingerprint of 3-methylflavone-8-carboxylic acid established for its synthesis control analysis.
2009 Mar 15
Liquid Chromatographic Determination of Flavoxate HCl in Pharmaceutical Formulation.
2010 Jul
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:34:47 UTC 2023
Edited
by admin
on Fri Dec 15 15:34:47 UTC 2023
Record UNII
O8RCM70C48
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLFLAVONE-8-CARBOXYLIC ACID
Systematic Name English
3-METHYL-4-OXO-2-PHENYL-4H-CHROMENE-8-CARBOXYLIC ACID
Systematic Name English
4H-1-BENZOPYRAN-8-CARBOXYLIC ACID, 3-METHYL-4-OXO-2-PHENYL-
Common Name English
FLAVOXATE RELATED COMPOUND A
USP-RS  
Common Name English
FLAVOXATE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
8-CARBOXY-3-METHYLFLAVONE
Systematic Name English
FLAVOXATE RELATED COMPOUND A [USP-RS]
Common Name English
3-METHYL-4-OXO-2-PHENYL-4H-1-BENZOPYRAN-8-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
O8RCM70C48
Created by admin on Fri Dec 15 15:34:47 UTC 2023 , Edited by admin on Fri Dec 15 15:34:47 UTC 2023
PRIMARY
CAS
3468-01-7
Created by admin on Fri Dec 15 15:34:47 UTC 2023 , Edited by admin on Fri Dec 15 15:34:47 UTC 2023
PRIMARY
CHEBI
61237
Created by admin on Fri Dec 15 15:34:47 UTC 2023 , Edited by admin on Fri Dec 15 15:34:47 UTC 2023
PRIMARY
ECHA (EC/EINECS)
222-425-2
Created by admin on Fri Dec 15 15:34:47 UTC 2023 , Edited by admin on Fri Dec 15 15:34:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID00188231
Created by admin on Fri Dec 15 15:34:47 UTC 2023 , Edited by admin on Fri Dec 15 15:34:47 UTC 2023
PRIMARY
PUBCHEM
77016
Created by admin on Fri Dec 15 15:34:47 UTC 2023 , Edited by admin on Fri Dec 15 15:34:47 UTC 2023
PRIMARY
RS_ITEM_NUM
1270719
Created by admin on Fri Dec 15 15:34:47 UTC 2023 , Edited by admin on Fri Dec 15 15:34:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP