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Details

Stereochemistry ACHIRAL
Molecular Formula C15H14NO3.Na
Molecular Weight 279.2663
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOLMETIN SODIUM ANHYDROUS

SMILES

[Na+].CN1C(CC([O-])=O)=CC=C1C(=O)C2=CC=C(C)C=C2

InChI

InChIKey=QGUALMNFRILWRA-UHFFFAOYSA-M
InChI=1S/C15H15NO3.Na/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;/h3-8H,9H2,1-2H3,(H,17,18);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C15H14NO3
Molecular Weight 256.2766
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 Fri Dec 15 15:54:55 UTC 2023
Edited
by admin
on Fri Dec 15 15:54:55 UTC 2023
Record UNII
WL259637KX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOLMETIN SODIUM ANHYDROUS
Common Name English
1H-PYRROLE-2-ACETIC ACID, 1-METHYL-5-(4-METHYLBENZOYL)-, SODIUM SALT (1:1)
Common Name English
Tolmetin sodium [WHO-DD]
Common Name English
1H-PYRROLE-2-ACETIC ACID, 1-METHYL-5-(4-METHYLBENZOYL)-, SODIUM SALT
Common Name English
SODIUM TOLMETIN
Common Name English
SODIUM 1-METHYL-5-P-TOLUOYLPYRROLE-2-ACETATE
Common Name English
Code System Code Type Description
CHEBI
9619
Created by admin on Fri Dec 15 15:54:55 UTC 2023 , Edited by admin on Fri Dec 15 15:54:55 UTC 2023
PRIMARY
CAS
35711-34-3
Created by admin on Fri Dec 15 15:54:55 UTC 2023 , Edited by admin on Fri Dec 15 15:54:55 UTC 2023
PRIMARY
FDA UNII
WL259637KX
Created by admin on Fri Dec 15 15:54:55 UTC 2023 , Edited by admin on Fri Dec 15 15:54:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID2091546
Created by admin on Fri Dec 15 15:54:55 UTC 2023 , Edited by admin on Fri Dec 15 15:54:55 UTC 2023
PRIMARY
PUBCHEM
23665411
Created by admin on Fri Dec 15 15:54:55 UTC 2023 , Edited by admin on Fri Dec 15 15:54:55 UTC 2023
PRIMARY
ECHA (EC/EINECS)
252-687-3
Created by admin on Fri Dec 15 15:54:55 UTC 2023 , Edited by admin on Fri Dec 15 15:54:55 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY