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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9O5.Na
Molecular Weight 232.1652
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 3,4-DIMETHOXYPHENYLGLYOXYLATE

SMILES

[Na+].COC1=CC=C(C=C1OC)C(=O)C([O-])=O

InChI

InChIKey=BBHVQBQNEHFBIO-UHFFFAOYSA-M
InChI=1S/C10H10O5.Na/c1-14-7-4-3-6(5-8(7)15-2)9(11)10(12)13;/h3-5H,1-2H3,(H,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C10H9O5
Molecular Weight 209.1755
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
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 Mon Mar 31 20:55:34 GMT 2025
Edited
by admin
on Mon Mar 31 20:55:34 GMT 2025
Record UNII
01MWS86W2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 3,4-DIMETHOXYPHENYLGLYOXYLATE
Systematic Name English
BENZENEACETIC ACID, 3,4-DIMETHOXY-.ALPHA.-OXO-, SODIUM SALT
Preferred Name English
Sodium 3,4-dimethoxyphenylglyoxylate [WHO-DD]
Common Name English
EUSOLEX 161
Brand Name English
Code System Code Type Description
SMS_ID
300000048803
Created by admin on Mon Mar 31 20:55:34 GMT 2025 , Edited by admin on Mon Mar 31 20:55:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID40958915
Created by admin on Mon Mar 31 20:55:34 GMT 2025 , Edited by admin on Mon Mar 31 20:55:34 GMT 2025
PRIMARY
ECHA (EC/EINECS)
253-702-6
Created by admin on Mon Mar 31 20:55:34 GMT 2025 , Edited by admin on Mon Mar 31 20:55:34 GMT 2025
PRIMARY
PUBCHEM
23683213
Created by admin on Mon Mar 31 20:55:34 GMT 2025 , Edited by admin on Mon Mar 31 20:55:34 GMT 2025
PRIMARY
CAS
37891-88-6
Created by admin on Mon Mar 31 20:55:34 GMT 2025 , Edited by admin on Mon Mar 31 20:55:34 GMT 2025
PRIMARY
FDA UNII
01MWS86W2N
Created by admin on Mon Mar 31 20:55:34 GMT 2025 , Edited by admin on Mon Mar 31 20:55:34 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE