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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H13NO3.C4H11NO3
Molecular Weight 376.4037
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KETOROLAC TROMETHAMINE, (R)-

SMILES

NC(CO)(CO)CO.OC(=O)[C@@H]1CCN2C1=CC=C2C(=O)C3=CC=CC=C3

InChI

InChIKey=BWHLPLXXIDYSNW-RFVHGSKJSA-N
InChI=1S/C15H13NO3.C4H11NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;5-4(1-6,2-7)3-8/h1-7,11H,8-9H2,(H,18,19);6-8H,1-3,5H2/t11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C4H11NO3
Molecular Weight 121.135
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H13NO3
Molecular Weight 255.2686
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:40:52 UTC 2023
Edited
by admin
on Sat Dec 16 10:40:52 UTC 2023
Record UNII
W2RI2A81H9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KETOROLAC TROMETHAMINE, (R)-
Common Name English
1,3-PROPANEDIOL, 2-AMINO-2-(HYDROXYMETHYL)-, (R)-5-BENZOYL-2,3-DIHYDRO-1H-PYRROLIZINE-1-CARBOXYLATE (SALT)
Common Name English
1H-PYRROLIZINE-1-CARBOXYLIC ACID, 5-BENZOYL-2,3-DIHYDRO-, (1R)-, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)
Systematic Name English
1H-PYRROLIZINE-1-CARBOXYLIC ACID, 5-BENZOYL-2,3-DIHYDRO-, (R)-, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)
Common Name English
Code System Code Type Description
CAS
180863-79-0
Created by admin on Sat Dec 16 10:40:52 UTC 2023 , Edited by admin on Sat Dec 16 10:40:52 UTC 2023
PRIMARY
PUBCHEM
6604122
Created by admin on Sat Dec 16 10:40:52 UTC 2023 , Edited by admin on Sat Dec 16 10:40:52 UTC 2023
PRIMARY
FDA UNII
W2RI2A81H9
Created by admin on Sat Dec 16 10:40:52 UTC 2023 , Edited by admin on Sat Dec 16 10:40:52 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER