Tolperisone Hydrochloride

HCID 92965CAS 3644-61-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl
InChIKey: ZBUVYROEHQQAKL-UHFFFAOYSA-N
分子式: C16H24ClNO
平均分子量: 281.82 g/mol
単同位体質量: 281.15464207

概要

Tolperisone hydrochloride is an aromatic ketone.

名称と識別子

優先名称: Tolperisone Hydrochloride
IUPAC: 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride

名称と別名

Tolperisone hydrochloride3644-61-9Tolperisone HClMidocalmMuscalmMydocalmArantoickAtmosgenBesnolineIsocalmKineorlMetosomin

名称をさらに表示

Abbsa2,4'-Dimethyl-3-piperidinopropiophenone hydrochlorideDTXSID20458682-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-Propanone hydrochloride2-Methyl-3-piperidino-1-p-tolylpropan-1-one hydrochlorideN-553BIOCALMMINACALM

データベース識別子

CAS: 3644-61-9、70312-00-4
PubChem CID: 92965
DTXSID: DTXSID2045868
ChEMBL: CHEMBL1395150
ChEBI: CHEBI:32244
UNII: 8Z075K2TIG
EC Number: 222-876-5

物性

構造計算による物性

極性表面積: 20.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 262

実験および物理化学的性質

Collision Cross Section160.5 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 96 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358)