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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
Liquid chromatographic fingerprint of 3-methylflavone-8-carboxylic acid established for its synthesis control analysis.
2009 Mar 15
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:34:47 GMT 2023
Edited
by admin
on Fri Dec 15 15:34:47 GMT 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 GMT 2023 , Edited by admin on Fri Dec 15 15:34:47 GMT 2023
PRIMARY
CAS
3468-01-7
Created by admin on Fri Dec 15 15:34:47 GMT 2023 , Edited by admin on Fri Dec 15 15:34:47 GMT 2023
PRIMARY
CHEBI
61237
Created by admin on Fri Dec 15 15:34:47 GMT 2023 , Edited by admin on Fri Dec 15 15:34:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-425-2
Created by admin on Fri Dec 15 15:34:47 GMT 2023 , Edited by admin on Fri Dec 15 15:34:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID00188231
Created by admin on Fri Dec 15 15:34:47 GMT 2023 , Edited by admin on Fri Dec 15 15:34:47 GMT 2023
PRIMARY
PUBCHEM
77016
Created by admin on Fri Dec 15 15:34:47 GMT 2023 , Edited by admin on Fri Dec 15 15:34:47 GMT 2023
PRIMARY
RS_ITEM_NUM
1270719
Created by admin on Fri Dec 15 15:34:47 GMT 2023 , Edited by admin on Fri Dec 15 15:34:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP