레보세모티아딜
Levosemotiadil
기본 정보
- CAS
116476-16-5- 표준 SMILES
COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@@H]2Sc3ccccc3N(C)C2=O)c1- InChIKey
RKXVEXUAWGRFNP-NDEPHWFRSA-N- 분자식
- C29H32N2O6S
- 평균 분자량
- 536.6 g/mol
- 단동위원소 질량
- 536.19810792
개요
Levosemotiadil is a small molecule drug. The usage of the INN stem '-dil' in the name indicates that Levosemotiadil is a vasodilator. Levosemotiadil has a monoisotopic molecular weight of 536.2 Da.
이름 및 식별자
- 우선 이름
- Levosemotiadil
- IUPAC
- (2S)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
- 현지명
- 레보세모티아딜
- 영어명
- Levosemotiadil
- 분자식
- C29H32N2O6S
- 분자량
- 536.64
이름 및 동의어
Levosemotiadil116476-16-59VDH1G55NCDTXSID401036181(-)-(S)-2-(5-Methoxy-2-(3-(methyl(2-(3,4-(methylenedioxy)phenoxy)ethyl)amino)propoxy)phenyl)-4-methyl-2H-1,4-benzothiazin-3(4H)-onelevosemotiadilumRefChem:153232DTXCID701520393Levosemotiadil [INN](2S)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-oneUNII-9VDH1G55NCSCHEMBL678293
이름 더 보기
레보세모티아딜Reaxys ID: 35797562H-1,4-Benzothiazin-3(4H)-one, 2-[2-[3-[[2-(1,3-benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-methoxyphenyl]-4-methyl-, (2S)-[2S,(-)]-3,4-Dihydro-2-[5-methoxy-2-[3-[methyl[2-[(1,3-benzodioxol-5-yl)oxy]ethyl]amino]propoxy]phenyl]-4-methyl-2H-1,4-benzothiazin-3-one
orb1702032CHEMBL2105033AKOS040747071(S)-2-(2-(3-((2-(benzo[d][1,3]dioxol-5-yloxy)ethyl)(methyl)amino)propoxy)-5-methoxyphenyl)-4-methyl-2H-benzo[b][1,4]thiazin-3(4H)-oneHY-121535CS-0082703T25701Q27273280
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 95 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 761
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
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