(±)-Tolperisone

C16H23NOCAS 728-88-1245.37 g/mol

Open in Covalent MOL file
ON
KetoneTertiary amine

Properties

Molecular formula
C16H23NO
Molar mass
245.37 g/mol
Exact mass
245.1780 Da
Melting point
176–177 °C
logP
3.30Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number
728-88-1
SMILES
Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
InChIKey
FSKFPVLPFLJRQB-UHFFFAOYSA-N
InChI
InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • 1-Propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-
  • Propiophenone, 2,4′-dimethyl-3-piperidino-
  • 2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone
  • 2,4′-Dimethyl-3-piperidinopropiophenone
  • Mydeton
  • Tolperisone
  • Mideton
  • Dl-Tolperisone
  • Mydetone
  • NSC 107321

Work with (±)-Tolperisone

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.

Tolperisone hydrochloride3644-61-9Salt

Similar compounds

Eperisone64840-90-073 % similar Eperisone hydrochloride56839-43-167 % similar 2-Bromo-4-methylpropiophenone1451-82-749 % similar Eprazinone10402-90-147 % similar 3-[4-(β-Ethoxyphenethyl)-1-piperazinyl]-2-methylpropiophenone dihydrochloride10402-53-644 % similar 4,4'-Dimethylbenzoin1218-89-943 % similar 1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-538 % similar 4,4'-Dimethylbenzophenone611-97-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile1611-07-0 R-(-)-BPAP260550-89-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook