chempirical

Tolmetin

C15H15NO3CAS 26171-23-3257.29 g/mol

Open in Covalent MOL file
OOHON
Carboxylic acidKetone

Properties

Molecular formula
C15H15NO3
Molar mass
257.29 g/mol
Exact mass
257.1052 Da
Melting point
155–157 °C (decomposes)
logP
2.19Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
26171-23-3
SMILES
Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1
InChIKey
UPSPUYADGBWSHF-UHFFFAOYSA-N
InChI
InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)

Weigh it out

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

Names and synonyms

8 names
  • 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-
  • Pyrrole-2-acetic acid, 1-methyl-5-p-toluoyl-
  • 1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid
  • 1-Methyl-5-p-toluoylpyrrole-2-acetic acid
  • McN 2559
  • 5-[(p-Tolyl)carbonyl]-1-methylpyrrole-2-acetic acid
  • Tolmetine
  • 2-[1-Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid

Work with Tolmetin

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

Similar compounds

Tolmetin sodium dihydrate64490-92-260 % similar Amtolmetin guacil87344-06-752 % similar P-Tolylacetic acid622-47-949 % similar 4,4′-Dimethylbenzophenone611-97-245 % similar 4-(4-Methylphenyl)-4-oxobutanoic acid4619-20-944 % similar 3-(4-Methylphenyl)propionic acid1505-50-644 % similar P-Methylhippuric acid27115-50-043 % similar 4-Methylbenzophenone134-84-940 % similar

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

Same formula

(αR)-α-(Acetylamino)-2-naphthalenepropanoic acid37440-01-0

Elsewhere

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