Ketorolac

C15H13NO3CAS 74103-06-3255.27 g/mol

Open in Covalent MOL file
ONOOH
Carboxylic acidKetone

Properties

Molecular formula
C15H13NO3
Molar mass
255.27 g/mol
Exact mass
255.0895 Da
Melting point
160.5 °C
pKa
3.49
logP
2.29Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
74103-06-3
SMILES
O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
InChIKey
OZWKMVRBQXNZKK-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-
  • 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, (±)-
  • 5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
  • RS 37619
  • (±)-Ketorolac
  • Acular LS
  • Sprix
  • Keromin
  • Sukerin
  • AAGN 199584

Work with Ketorolac

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ketorolac tromethamine74103-07-4Salt

Similar compounds

L-4-Benzoylphenylalanine104504-45-241 % similar Tropic acid529-64-639 % similar Ketoprofen22071-15-438 % similar (+)-Ketoprofen22161-81-538 % similar 2-Phenylbutyric acid90-27-738 % similar (-)-2-Phenylbutyric acid938-79-438 % similar (+)-Phenylsuccinic acid4036-30-038 % similar (R)-(-)-Phenylsuccinic acid46292-93-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9-Fluorenylmethyl N-hydroxycarbamate190656-01-0 1-(Naphthalen-1-yl)-5-oxopyrrolidine-3-carboxylic acid340319-91-7 (±)-Pranoprofen52549-17-4

Elsewhere

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