기본 정보
- 표준 SMILES
Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl- InChIKey
ZBUVYROEHQQAKL-UHFFFAOYSA-N- 분자식
- C16H24ClNO
- 평균 분자량
- 281.82 g/mol
- 단동위원소 질량
- 281.15464207
개요
Tolperisone hydrochloride is an aromatic ketone.
이름 및 식별자
- 우선 이름
- Tolperisone Hydrochloride
- IUPAC
- 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
이름 및 동의어
Tolperisone hydrochloride3644-61-9Tolperisone HClMidocalmMuscalmMydocalmArantoickAtmosgenBesnolineIsocalmKineorlMetosomin
이름 더 보기
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
데이터베이스 식별자
- CAS
3644-61-9、70312-00-4- PubChem CID
- 92965
- DTXSID
DTXSID2045868- ChEMBL
CHEMBL1395150- ChEBI
CHEBI:32244- UNII
- 8Z075K2TIG
- EC Number
- 222-876-5
물성
구조 계산 물성
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 262
실험 및 물리화학적 성질
Collision Cross Section160.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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)
관련 반응
2건
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