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Details

Stereochemistry ACHIRAL
Molecular Formula C13H7F2O3.Na
Molecular Weight 272.1795
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIFLUNISAL SODIUM

SMILES

[Na+].OC1=CC=C(C=C1C([O-])=O)C2=CC=C(F)C=C2F

InChI

InChIKey=TWNIMRJXRIWUKA-UHFFFAOYSA-M
InChI=1S/C13H8F2O3.Na/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;/h1-6,16H,(H,17,18);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C13H7F2O3
Molecular Weight 249.1897
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
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 08:11:57 UTC 2023
Edited
by admin
on Sat Dec 16 08:11:57 UTC 2023
Record UNII
MJG4K58KPV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIFLUNISAL SODIUM
Common Name English
(1,1'-BIPHENYL)-3-CARBOXYLIC ACID, 2',4'-DIFLUORO-4-HYDROXY-, MONOSODIUM SALT
Systematic Name English
SODIUM DIFLUNISAL
Systematic Name English
(1,1'-BIPHENYL)-3-CARBOXYLIC ACID, 2',4'-DIFLUORO-4-HYDROXY-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
MJG4K58KPV
Created by admin on Sat Dec 16 08:11:57 UTC 2023 , Edited by admin on Sat Dec 16 08:11:57 UTC 2023
PRIMARY
PUBCHEM
23677945
Created by admin on Sat Dec 16 08:11:57 UTC 2023 , Edited by admin on Sat Dec 16 08:11:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID00233033
Created by admin on Sat Dec 16 08:11:57 UTC 2023 , Edited by admin on Sat Dec 16 08:11:57 UTC 2023
PRIMARY
ECHA (EC/EINECS)
282-223-5
Created by admin on Sat Dec 16 08:11:57 UTC 2023 , Edited by admin on Sat Dec 16 08:11:57 UTC 2023
PRIMARY
CAS
84145-00-6
Created by admin on Sat Dec 16 08:11:57 UTC 2023 , Edited by admin on Sat Dec 16 08:11:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY