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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H16O11
Molecular Weight 444.3451
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITROSALIC ACID

SMILES

OC(=O)C1=C(OC(=O)CC3(CC(=O)OC2=C(C=CC=C2)C(O)=O)OCOC3=O)C=CC=C1

InChI

InChIKey=MZRMRMTUUHHONC-UHFFFAOYSA-N
InChI=1S/C21H16O11/c22-16(31-14-7-3-1-5-12(14)18(24)25)9-21(20(28)29-11-30-21)10-17(23)32-15-8-4-2-6-13(15)19(26)27/h1-8H,9-11H2,(H,24,25)(H,26,27)

HIDE SMILES / InChI

Molecular Formula C21H16O11
Molecular Weight 444.3451
Charge 0
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 23:16:00 GMT 2025
Edited
by admin
on Mon Mar 31 23:16:00 GMT 2025
Record UNII
PMW0Y40S89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITROSALIC ACID
Common Name English
METHYLENECITRYLSALICYLIC ACID
Preferred Name English
SALICITRIN
Common Name English
NOVASPIRIN
Common Name English
1,3-DIOXOLANE-4,4-DIACETIC ACID, 5-OXO-, 4,4-BIS(2-CARBOXYPHENYL) ESTER
Systematic Name English
ANHYDROMETHYLENECITRIC ACID DISALICYLIC ACID ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
102118
Created by admin on Mon Mar 31 23:16:00 GMT 2025 , Edited by admin on Mon Mar 31 23:16:00 GMT 2025
PRIMARY
CAS
1400-58-4
Created by admin on Mon Mar 31 23:16:00 GMT 2025 , Edited by admin on Mon Mar 31 23:16:00 GMT 2025
PRIMARY
FDA UNII
PMW0Y40S89
Created by admin on Mon Mar 31 23:16:00 GMT 2025 , Edited by admin on Mon Mar 31 23:16:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID60930692
Created by admin on Mon Mar 31 23:16:00 GMT 2025 , Edited by admin on Mon Mar 31 23:16:00 GMT 2025
PRIMARY
ECHA (EC/EINECS)
215-748-5
Created by admin on Mon Mar 31 23:16:00 GMT 2025 , Edited by admin on Mon Mar 31 23:16:00 GMT 2025
PRIMARY