Ketorolac

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Systematic / IUPAC Name: 5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

ID: Reference777

Other Names: 5-(Phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;
1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-;
Rac-ketorolac

Formula: C15H13NO3

Class: Therapeutics/Prescription Drugs

Spectral Data

Ketorolac mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 303
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/9/2015 9:18:42 AM
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Identificators

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
Canonical SMILES C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O
CAS 74103063
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Other Names 5-(Phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;
1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-;
Rac-ketorolac

In Other Databases

KEGG C07062; D00813; D08104
ChEMBL CHEMBL469
ChEBI CHEBI:6129; CHEBI:76223
DrugBank APRD01060
ChemSpider 3694; 21240213
Wikipedia Ketorolac
PubChem 3826
ChemIDPlus 074103063; 066635834; 074103074