기본 정보
- CAS
103377-41-9- 표준 SMILES
O=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2CSc2ccccc21- InChIKey
WFNRNNUZFPVBSM-UHFFFAOYSA-N- 분자식
- C28H30FN3OS
- 평균 분자량
- 475.6 g/mol
- 단동위원소 질량
- 475.20936192
개요
Monatepil is a dibenzothiepine.
이름 및 식별자
- 우선 이름
- Monatepil
- IUPAC
- N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamide
- 영어명
- MONATEPIL
- 분자식
- C28H30FN3OS
- 분자량
- 475.62
이름 및 동의어
Monatepil103377-41-9monatepiloDTXSID3048811N4MMI0J7PWDTXCID60287371-Piperazinebutanamide, N-(6,11-dihydrodibenzo(b,E)thiepin-11-yl)-4-(4-fluorophenyl)monatepilum11-((4-(4-(4-fluorophenyl)-1-piperazinyl)butyryl)amino)-6,11-dihydrodibenzo(b,e)thiepin maleateRefChem:159485(+-)-N-(6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YL)-4-(P-FLUOROPHENYL)-1-PIPERAZINEBUTYRAMIDE132019-54-6
이름 더 보기
N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-4-(4-(4-fluorophenyl)piperazin-1-yl)butanamideMonatepil [INN]N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamideNCGC00183837-01(+/-)-N-(6,11-Dihydrodibenzo(b,E)thiepin-11-yl)-4-(p-fluorophenyl)-1-piperazinebutyramide1-Piperazinebutanamide, N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4-(4-fluorophenyl)-Monatepil [WHO-DD]N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamide
데이터베이스 식별자
- CAS
103377-41-9- PubChem CID
- 60810
- DTXSID
DTXSID3048811- ChEMBL
CHEMBL172853- ChEBI
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 60.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 650
물리화학적 성질
- 녹는점
- 194 · 194-194.5°
- 끓는 점
- 682 · 682.0±55.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.71 · 14.71±0.20(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
공급사1 곳
上海德轩医药科技有限公司[email protected] · [email protected]
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