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Tolperisone Hydrochloride

CAT: 0572-TRC-T535475-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T535475-100MGSize:100 mg
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CAS Number
3644-61-9
Synonyms
2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone Hydrochloride (1:1); 1-Propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, hydrochloride (9CI); Propiophenone, 2,4'-dimethyl-3-piperidino-, hydrochloride (7CI,8CI); 1-Piperidino-2-methyl-3-(4-methylphenyl)propan-3-one hydrochloride; 2,4'-Dimethyl-3-piperidinopropiophenone hydrochloride; Abbsa; Arantoick; Atmosgen; Besnoline; Biocalm; Isocalm; Kineorl; Menopatol; Metosomin; Midocalm; Minacalm; Muscalm; Mydocalm; N 553; Naismeritin; Tolfree; Tolisartine; Tolperisone hydrochloride; Tolpidol
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.CC(CN1CCCCC1)C(=O)c2ccc(C)cc2
Molecular Formula
C16 H23 N O . Cl H
Molecular Weight
281.82
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
Additionnal Information
IUPAC name: 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Tolperisone Hydrochloride

Tolperisone hydrochloride is an aromatic ketone.

CAS Number3644-61-9
PubChem CID92965
IUPAC Name2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
Molecular FormulaC16H24ClNO
Molecular Weight281.82
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity262
SMILES
CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
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
InChIKey
ZBUVYROEHQQAKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tolperisone Hydrochloride
CAS: 3644-61-9
CID: 92965
Formula: C16H24ClNO
MW: 281.82
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight281.82
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass281.1546421
Monoisotopic Mass281.1546421
Topological Polar Surface Area20.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity262
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes