Semotiadil

HCID 65929CAS 116476-13-2
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기본 정보

표준 SMILES
COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(C)C2=O)c1
InChIKey
RKXVEXUAWGRFNP-MUUNZHRXSA-N
분자식
C29H32N2O6S
평균 분자량
536.6 g/mol
단동위원소 질량
536.19810774

개요

Semotiadil is a small molecule drug. The usage of the INN stem '-dil' in the name indicates that Semotiadil is a vasodilator. Semotiadil has a monoisotopic molecular weight of 536.2 Da.

이름 및 식별자

우선 이름
Semotiadil
IUPAC
(2R)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
영어명
SEMOTIADIL
분자식
C29H32N2O6S
분자량
536.64

이름 및 동의어

SemotiadilSesamodil116476-13-2SemotiadilumDGN08QZ30GDTXSID30869602SD-32113,4-dihydro-2-(5-methoxy-2-(3-(N-methyl-N-(2-((3,4-methylenedioxy)phenoxy)ethyl)amino)propoxy)phenyl)-4-methyl-3-oxo-2H-1,4-benzothiazineRefChem:182361DTXCID501526876Semotiadil [INN](2R)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
이름 더 보기
DS-4823SEMO-008DS-4823：SD-3211SEMOTIADIL USP/EP/BP-2-[2-[3-[[2-(1，3-Benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-rnethoxyphenyl]-4-methyl-2H-1，4-benzothiazin-3(4H)-one(2R)-2α-[2-[3-[[2-(1,3-Benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-methoxyphenyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one(2R)-2α-[5-Methoxy-2-[3-[methyl[2-[(1,3-benzodioxol-5-yl)oxy]ethyl]amino]propoxy]phenyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one2H-1,4-Benzothiazin-3(4H)-one, 2-[2-[3-[[2-(1,3-benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-methoxyphenyl]-4-methyl-, (2R)-(R)-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)-one
Semotiadilum [INN-Latin]UNII-DGN08QZ30G116476-13-2 (free base)SEMOTIADIL [MI]SCHEMBL80715CHEMBL57684orb1699322SCHEMBL29396077

데이터베이스 식별자

CAS
116476-13-2
PubChem CID
65929
DTXSID
DTXSID30869602
ChEMBL
CHEMBL57684
UNII
DGN08QZ30G
Nikkaji
J449.011H

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

안전 및 규제

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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.

상·하류 제품 정보

공급사7 곳

LGM Pharma1-(800)-881-8210 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]

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