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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H13O4.Na
Molecular Weight 304.2725
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VADIMEZAN SODIUM

SMILES

[Na+].CC1=CC=C2C(=O)C3=C(OC2=C1C)C(CC([O-])=O)=CC=C3

InChI

InChIKey=CUHSZPRXKQDLCJ-UHFFFAOYSA-M
InChI=1S/C17H14O4.Na/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C17H13O4
Molecular Weight 281.2827
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 Fri Dec 15 15:56:18 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:18 UTC 2023
Record UNII
C35T92HIZM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VADIMEZAN SODIUM
Common Name English
9H-XANTHENE-4-ACETIC ACID, 5,6-DIMETHYL-9-OXO-, SODIUM SALT (1:1)
Systematic Name English
9H-XANTHENE-4-ACETIC ACID, 5,6-DIMETHYL-9-OXO-, SODIUM SALT
Systematic Name English
SODIUM (5,6-DIMETHYL-9-OXO-9H-XANTHEN-4-YL)ACETATE
Systematic Name English
DMXAA SODIUM SALT
Code English
Code System Code Type Description
CAS
129095-08-5
Created by admin on Fri Dec 15 15:56:18 UTC 2023 , Edited by admin on Fri Dec 15 15:56:18 UTC 2023
PRIMARY
DRUG BANK
DBSALT002001
Created by admin on Fri Dec 15 15:56:18 UTC 2023 , Edited by admin on Fri Dec 15 15:56:18 UTC 2023
PRIMARY
PUBCHEM
23674529
Created by admin on Fri Dec 15 15:56:18 UTC 2023 , Edited by admin on Fri Dec 15 15:56:18 UTC 2023
PRIMARY
FDA UNII
C35T92HIZM
Created by admin on Fri Dec 15 15:56:18 UTC 2023 , Edited by admin on Fri Dec 15 15:56:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY