S-(+)-Ketoprofen trometamol

C20H25NO6CAS 156604-79-4375.42 g/mol

OOHOH2NOHHOOH
AlcoholCarboxylic acidKetonePrimary amine

Properties

Molecular formula
C20H25NO6
Molar mass
375.42 g/mol
Exact mass
375.1682 Da
logP
0.77Crippen estimate
Polar surface area
141.1 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
156604-79-4
SMILES
C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1.NC(CO)(CO)CO
InChIKey
QUZMDHVOUNDEKW-MERQFXBCSA-N
InChI
InChI=1S/C16H14O3.C4H11NO3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;5-4(1-6,2-7)3-8/h2-11H,1H3,(H,18,19);6-8H,1-3,5H2/t11-;/m0./s1

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Names and synonyms

9 names
  • Benzeneacetic acid, 3-benzoyl-α-methyl-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1), (αS)-
  • Benzeneacetic acid, 3-benzoyl-α-methyl-, (S)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
  • Benzeneacetic acid, 3-benzoyl-α-methyl-, (αS)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (S)-3-benzoyl-α-methylbenzeneacetate (salt)
  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (αS)-3-benzoyl-α-methylbenzeneacetate (salt)
  • Dexketoprofen trometamol
  • (S)-Ketoprofen trometamol
  • Dexketoprofen Tromethamine salt
  • Enantyum

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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