Ketorolac tromethamine

C₁₉H₂₄N₂O₆CAS 74103-07-4376.41 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Ketone Primary amine

Properties

Molecular formula: C₁₉H₂₄N₂O₆
Molar mass: 376.41 g/mol
Exact mass: 376.1634 Da
logP: -0.05Crippen estimate
Polar surface area: 146.0 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed96.9% of notifiers
H315 Causes skin irritation93.8% of notifiers
H319 Causes serious eye irritation93.8% of notifiers
H335 May cause respiratory irritation92.2% of notifiers

Aggregated from 64 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

74103-07-4

SMILES

NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O

InChIKey

BWHLPLXXIDYSNW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

19 names · show all

1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, (±)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (±)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate (1:1) (salt)
1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate (1:1) (salt)
Toradol
Acular
Ketorolac trometamol
Lixidol
Toratex
Tarazyn
Dolac
Ketanov
Trometamol ketorolac
Ketorol
Ketorolac tris salt
Acuvail
Acular PF
Ketolac
ISV 304

Work with Ketorolac tromethamine

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.

Ketorolac74103-06-3Free acid Tris77-86-1Free base Dinoprost tromethamine38562-01-5Salt Fosfomycin tromethamine78964-85-9Salt S-(+)-Ketoprofen trometamol156604-79-4Salt Tris(hydroxymethyl)aminomethane hydrochloride1185-53-1Salt Carboprost tromethamine58551-69-2Salt Lodoxamide tromethamine63610-09-3Salt Tris-acetate6850-28-8Salt Phosphoric acid, mono(4-nitrophenyl) ester, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2)68189-42-4Salt

Similar compounds

L-4-Benzoylphenylalanine104504-45-237 % similar Tropic acid529-64-635 % similar Tiaprofenic acid33005-95-733 % similar Ketoprofen22071-15-432 % similar (+)-Ketoprofen22161-81-532 % similar 2-Phenylbutyric acid90-27-732 % similar (-)-2-Phenylbutyric acid938-79-432 % similar 1-Benzoylpiperidine-4-carboxylic acid5274-99-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook