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 Sat Dec 16 10:28:45 GMT 2023
Edited
by admin
on Sat Dec 16 10:28:45 GMT 2023
Record UNII
PMW0Y40S89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITROSALIC ACID
Common 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
METHYLENECITRYLSALICYLIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
102118
Created by admin on Sat Dec 16 10:28:45 GMT 2023 , Edited by admin on Sat Dec 16 10:28:45 GMT 2023
PRIMARY
CAS
1400-58-4
Created by admin on Sat Dec 16 10:28:45 GMT 2023 , Edited by admin on Sat Dec 16 10:28:45 GMT 2023
PRIMARY
FDA UNII
PMW0Y40S89
Created by admin on Sat Dec 16 10:28:45 GMT 2023 , Edited by admin on Sat Dec 16 10:28:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID60930692
Created by admin on Sat Dec 16 10:28:45 GMT 2023 , Edited by admin on Sat Dec 16 10:28:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
215-748-5
Created by admin on Sat Dec 16 10:28:45 GMT 2023 , Edited by admin on Sat Dec 16 10:28:45 GMT 2023
PRIMARY