ketorolac   

GtoPdb Ligand ID: 6661

Synonyms: Acular® | Toradol®
ketorolac is an approved drug (FDA (1989))
Compound class: Synthetic organic
Comment: Ketorolac is a heterocyclic acetic acid class non-steroidal anti-inflammatory drug (NSAID). It acts as a non-selective COX inhibitor. The administered drug is a racemic mixture of enantiomers. We show the chemical structure without specified stereochemistry to represent the mixture.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 59.3
Molecular weight 255.09
XLogP 2.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Isomeric SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
InChI Key OZWKMVRBQXNZKK-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (1989))
IUPAC Name
5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
International Nonproprietary Names
INN number INN
5558 ketorolac
Synonyms
Acular® | Toradol®
Database Links
CAS Registry No. 74103-06-3 (source: SciFinder)
ChEMBL Ligand CHEMBL469
DrugBank Ligand DB00465
DrugCentral Ligand 1529
GtoPdb PubChem SID 178103273
PubChem CID 3826
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Wikipedia Ketorolac