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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C9H7O4.Ca
Molecular Weight 398.377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPIRIN CALCIUM

SMILES

[Ca++].CC(=O)OC1=C(C=CC=C1)C([O-])=O.CC(=O)OC2=C(C=CC=C2)C([O-])=O

InChI

InChIKey=KRALOLGXHLZTCW-UHFFFAOYSA-L
InChI=1S/2C9H8O4.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*2-5H,1H3,(H,11,12);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C9H7O4
Molecular Weight 179.1495
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 15:12:38 UTC 2023
Edited
by admin
on Fri Dec 15 15:12:38 UTC 2023
Record UNII
WOD7W0DGZS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASPIRIN CALCIUM
Common Name English
CALCIUM ACETYLSALICYLATE [MI]
Common Name English
ASPIRIN, CALCIUM
Common Name English
CALCIUM ACETYLSALICYLATE
MI  
Systematic Name English
CALCIUM ASPIRIN
Common Name English
2-(ACETYLOXY)BENZOIC ACID CALCIUM SALT
Common Name English
Acetylsalicylate calcium [WHO-DD]
Common Name English
ACETYLSALICYLATE CALCIUM
WHO-DD  
Systematic Name English
ACETYLSALICYLIC ACID CALCIUM SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
Code System Code Type Description
SMS_ID
100000077954
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
PRIMARY
FDA UNII
WOD7W0DGZS
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
PRIMARY
MERCK INDEX
m2920
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
200-707-6
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID80219037
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
PRIMARY
NCI_THESAURUS
C83539
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
PRIMARY
EVMPD
SUB12726MIG
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
PRIMARY
CAS
69-46-5
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
PRIMARY
PUBCHEM
6247
Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY