Eperisone Impurity 1

CAT: 1299-RM-E160501-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E160501-02Size:25 mg

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CAS Number

3644-61-9

Synonyms

2-methyl-3- (piperidin-1-yl) -1- (p-tolyl) propan-1-one

Molecular Formula

C16H23NO

Molecular Weight

245.37

Target Alternative Name

Eperisone

Product Name Synonym

2-methyl-3- (piperidin-1-yl) -1- (p-tolyl) propan-1-one

Chemical Information

Tolperisone Hydrochloride

Tolperisone hydrochloride is an aromatic ketone.

CAS Number	3644-61-9
PubChem CID	92965
IUPAC Name	2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
Molecular Formula	C16H24ClNO
Molecular Weight	281.82
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	262

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

CAS: 3644-61-9

CID: 92965

Formula: C16H24ClNO

MW: 281.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.82
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	281.1546421
Monoisotopic Mass	281.1546421
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	262
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes