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Details

Stereochemistry RACEMIC
Molecular Formula 2C15H12NO3.Ca
Molecular Weight 548.599
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KETOROLAC CALCIUM

SMILES

[Ca++].[O-]C(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3.[O-]C(=O)C4CCN5C4=CC=C5C(=O)C6=CC=CC=C6

InChI

InChIKey=NPCGTDZMTWNBDA-UHFFFAOYSA-L
InChI=1S/2C15H13NO3.Ca/c2*17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;/h2*1-7,11H,8-9H2,(H,18,19);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C15H12NO3
Molecular Weight 254.2607
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 15:41:38 UTC 2023
Edited
by admin
on Fri Dec 15 15:41:38 UTC 2023
Record UNII
52541KD36N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KETOROLAC CALCIUM
Common Name English
1H-PYRROLIZINE-1-CARBOXYLIC ACID, 5-BENZOYL-2,3-DIHYDRO-, CALCIUM SALT, (±)-
Common Name English
1H-PYRROLIZINE-1-CARBOXYLIC ACID, 5-BENZOYL-2,3-DIHYDRO-, CALCIUM SALT (2:1)
Systematic Name English
1H-PYRROLIZINE-1-CARBOXYLIC ACID, 5-BENZOYL-2,3-DIHYDRO-, CALCIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
52541KD36N
Created by admin on Fri Dec 15 15:41:38 UTC 2023 , Edited by admin on Fri Dec 15 15:41:38 UTC 2023
PRIMARY
CAS
167105-81-9
Created by admin on Fri Dec 15 15:41:38 UTC 2023 , Edited by admin on Fri Dec 15 15:41:38 UTC 2023
PRIMARY
PUBCHEM
71587565
Created by admin on Fri Dec 15 15:41:38 UTC 2023 , Edited by admin on Fri Dec 15 15:41:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE