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Details

Stereochemistry RACEMIC
Molecular Formula C16H11ClNO3.K
Molecular Weight 339.815
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENOXAPROFEN POTASSIUM

SMILES

[K+].CC(C([O-])=O)C1=CC2=C(OC(=N2)C3=CC=C(Cl)C=C3)C=C1

InChI

InChIKey=HZEUKTMJUHKJKS-UHFFFAOYSA-M
InChI=1S/C16H12ClNO3.K/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10;/h2-9H,1H3,(H,19,20);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C16H11ClNO3
Molecular Weight 300.716
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula K
Molecular Weight 39.0983
Charge 1
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 Sat Dec 16 10:24:31 UTC 2023
Edited
by admin
on Sat Dec 16 10:24:31 UTC 2023
Record UNII
6TX4Y4C9I5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENOXAPROFEN POTASSIUM
Common Name English
5-BENZOXAZOLEACETIC ACID, 2-(4-CHLOROPHENYL)-.ALPHA.-METHYL-, POTASSIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
6TX4Y4C9I5
Created by admin on Sat Dec 16 10:24:31 UTC 2023 , Edited by admin on Sat Dec 16 10:24:31 UTC 2023
PRIMARY
CAS
93983-00-7
Created by admin on Sat Dec 16 10:24:31 UTC 2023 , Edited by admin on Sat Dec 16 10:24:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID40240160
Created by admin on Sat Dec 16 10:24:31 UTC 2023 , Edited by admin on Sat Dec 16 10:24:31 UTC 2023
PRIMARY
ECHA (EC/EINECS)
301-287-8
Created by admin on Sat Dec 16 10:24:31 UTC 2023 , Edited by admin on Sat Dec 16 10:24:31 UTC 2023
PRIMARY
PUBCHEM
23662598
Created by admin on Sat Dec 16 10:24:31 UTC 2023 , Edited by admin on Sat Dec 16 10:24:31 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY