U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9O4.Na
Molecular Weight 216.1658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CRESOPIRINE SODIUM

SMILES

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

InChI

InChIKey=IFCKJCVUZCWAHO-UHFFFAOYSA-M
InChI=1S/C10H10O4.Na/c1-6-4-3-5-8(10(12)13)9(6)14-7(2)11;/h3-5H,1-2H3,(H,12,13);/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 C10H9O4
Molecular Weight 193.1761
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 08:13:26 UTC 2023
Edited
by admin
on Sat Dec 16 08:13:26 UTC 2023
Record UNII
WHQ9162ESR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CRESOPIRINE SODIUM
Common Name English
BENZOIC ACID, 2-(ACETYLOXY)-3-METHYL-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
CAS
67078-80-2
Created by admin on Sat Dec 16 08:13:26 UTC 2023 , Edited by admin on Sat Dec 16 08:13:26 UTC 2023
PRIMARY
FDA UNII
WHQ9162ESR
Created by admin on Sat Dec 16 08:13:26 UTC 2023 , Edited by admin on Sat Dec 16 08:13:26 UTC 2023
PRIMARY
PUBCHEM
86278205
Created by admin on Sat Dec 16 08:13:26 UTC 2023 , Edited by admin on Sat Dec 16 08:13:26 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY