Tolperisone hydrochloride

C₁₆H₂₄ClNOCAS 3644-61-9281.82 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₆H₂₄ClNO
Molar mass: 281.82 g/mol
Exact mass: 281.1546 Da
Melting point: 176–177 °C
logP: 3.72Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin41.7% of notifiers
H315 Causes skin irritation57.3% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled42.7% of notifiers
H335 May cause respiratory irritation57.3% of notifiers

Aggregated from 96 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

3644-61-9

SMILES

Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl

InChIKey

ZBUVYROEHQQAKL-UHFFFAOYSA-N

InChI

InChI=1S/C16H23NO.ClH/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;1H

Weigh it out

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

Names and synonyms

23 names · show all

1-Propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
Propiophenone, 2,4′-dimethyl-3-piperidino-, hydrochloride
1-Propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, hydrochloride
Mydocalm
1-Piperidino-2-methyl-3-(4-methylphenyl)propan-3-one hydrochloride
Muscalm
Midocalm
Tolisartine
N 553
Isocalm
Besnoline
Kineorl
Naismeritin
Minacalm
Atmosgen
Metosomin
Menopatol
Abbsa
Arantoick
2,4′-Dimethyl-3-piperidinopropiophenone hydrochloride
Tolpidol
Tolfree
Biocalm

Work with Tolperisone hydrochloride

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.

(±)-Tolperisone728-88-1Free base

Similar compounds

Eperisone hydrochloride56839-43-174 % similar Eperisone64840-90-067 % similar 3-[4-(β-Ethoxyphenethyl)-1-piperazinyl]-2-methylpropiophenone dihydrochloride10402-53-650 % similar 2-Bromo-4-methylpropiophenone1451-82-745 % similar Eprazinone10402-90-144 % similar 4,4'-Dimethylbenzoin1218-89-940 % similar Triprolidine hydrochloride550-70-940 % similar Triprolidine hydrochloride monohydrate6138-79-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook