기본 정보
- CAS
4969-02-2- 표준 SMILES
CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1- InChIKey
MJFJKKXQDNNUJF-UHFFFAOYSA-N- 분자식
- C20H23NS
- 평균 분자량
- 309.5 g/mol
- 단동위원소 질량
- 309.15512091
개요
Metixene is a member of piperidines and a member of thioxanthenes. It has a role as a histamine antagonist, an antiparkinson drug and a muscarinic antagonist.
이름 및 식별자
- 우선 이름
- Metixene
- IUPAC
- 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
- 영어명
- metixene
- 분자식
- C20H23NS
- 분자량
- 309.47
이름 및 동의어
MetixeneMETHIXENETremaril4969-02-2Methixart1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidineMethixenMetixenoMetiseneMetixenum32VY6L26ZWDTXSID1047867
이름 더 보기
TrestTremonil60 SJ 1977Aids-001633metixene USP/EP/BP60 Sj 1977 (*hydrochloride*)9H-Thioxanthene, piperidine deriv.
CHEBI:51024RefChem:818765DTXCID1027843N04AA03225-610-6AtosilMethixen [German]Metisene [DCIT]
데이터베이스 식별자
- CAS
4969-02-2- PubChem CID
- 4167
- DTXSID
DTXSID1047867- ChEMBL
CHEMBL1201342- ChEBI
CHEBI:51024- UNII
- 32VY6L26ZW
- EC Number
- 225-610-6
- Nikkaji
- J8.790D
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 28.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 349
실험 및 물리화학적 성질
DrugsPharmaceuticals
LogP4.7
Solubility
Soluble as HCl salt
1.02e-04 g/L
Melting Point
< 25 °C
< 25 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 25 °C · <25 °C
- 끓는 점
- 0.07 · bp0.07 171-175°
- 밀도
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.46 · 9.46±0.10(Predicted)
- NIST
- 1 · Piperidine, 1-methyl-3-(9h-thioxanthen-9-ylmethyl)-(4969-02-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Exposure RoutesAbsorbed in the gastrointestinal tract following oral administration, however the extent of absorption is not known.
Toxicity Summary
Parkinsonism is thought to result from an imbalance between the excitatory (cholinergic) and inhibitory (dopaminergic) systems in the corpus striatum. The mechanism of action of centrally active anticholinergic drugs such as metixene is considered to relate to competitive antagonism of acetylcholine at muscarinic receptors in the corpus striatum, which then restores the balance.
Signs and Symptoms
Signs of overdose include dilated and sluggish pupils, warm, dry skin, facial flushing, decreased secretions of the mouth, pharynx, nose, and bronchi, foul-smelling breath, elevated temperature, tachycardia, cardiac arrhythmias, decreased bowel sounds, urinary retention, delirium, disorientation, anxiety, hallucinations, illusions, confusion, incoherence, agitation, hyperactivity, ataxia, loss of memory, paranoia, combativeness, and seizures.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
Pharmacodynamics
Metixene is a tertiary antimuscarinic with actions similar to those of atropine; it also has antihistaminic and direct antispasmodic properties. It is used for the symptomatic treatment of parkinsonism, including the alleviation of the extrapyramidal syndrome induced by other drugs such as phenothiazines, but, like other antimuscarinics, it is of no value against tardive dyskinesias. Metixene has been discontinued.
Mechanism of Action
Parkinsonism is thought to result from an imbalance between the excitatory (cholinergic) and inhibitory (dopaminergic) systems in the corpus striatum. The mechanism of action of centrally active anticholinergic drugs such as metixene is considered to relate to competitive antagonism of acetylcholine at muscarinic receptors in the corpus striatum, which then restores the balance.
Metabolism/Metabolites
Hepatic. Metabolism occurs via sulfoxydation and N-demethylation.
Hepatic. Metabolism occurs via sulfoxydation and N-demethylation.
Absorption, Distribution and ExcretionAbsorbed in the gastrointestinal tract following oral administration, however the extent of absorption is not known.
Cellular LocationsMembrane
용도 및 제조
UsesUsed for the symptomatic treatment of parkinsonism.
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