기본 정보
- CAS
101526-83-4- 표준 SMILES
CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1- InChIKey
KHYPYQZQJSBPIX-UHFFFAOYSA-N- 분자식
- C14H23N3O3S
- 평균 분자량
- 313.42 g/mol
- 단동위원소 질량
- 313.14601278
개요
Sematilide is a small molecule drug. The usage of the INN stem '-ilide' in the name indicates that Sematilide is a sematilide derivative class III antiarrhythmic. Sematilide has a monoisotopic molecular weight of 313.15 Da.
이름 및 식별자
- 우선 이름
- Sematilide
- IUPAC
- N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide
- 영어명
- N-(DIETHYLAMINOETHYL)-4-METHYLSULFOAMINOBENZAMIDE
- 분자식
- C14H23N3O3S
- 분자량
- 313.42
이름 및 동의어
Sematilide101526-83-4sematilida0NHB13IN3RDTXSID0058720sematilidumRefChem:182337DTXCID3032414Sematilide [INN]N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamideN-(DIETHYLAMINOETHYL)-4-METHYLSULFOAMINOBENZAMIDEN-(2-(Diethylamino)ethyl)-4-(methylsulfonamido)benzamide
이름 더 보기
RU-752N-(diethyl-amino-ethyl-)-4-mesyl-amino-benz-amideN-(2-Diethylaminoethyl)-4-(methylsulfonylamino)benzamideBenzamide,N-[2-(diethylamino)ethyl]-4-[(methylsulfonyl)amino]-N-(2-(Diethylamino)ethyl)-4-(methylsulfonamido)benzamide , Sematilide
N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide;N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamideUNII-0NHB13IN3RSEMATILIDE [MI]SEMATILIDE [WHO-DD]CHEMBL95804SCHEMBL161098orb1708551BDBM50228547
데이터베이스 식별자
- CAS
101526-83-4- PubChem CID
- 58505
- DTXSID
DTXSID0058720- ChEMBL
CHEMBL95804- UNII
- 0NHB13IN3R
- Nikkaji
- J291.690H
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 86.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 408
실험 및 물리화학적 성질
LogP1.36
물리화학적 성질
- 밀도
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.43 · 7.43±0.10(Predicted)
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.
응용 분야
용도Cardiac depressant (anti-arrhythmic).
공급사11 곳
韶关市启程生物科技有限公司18122215013 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
上海常葳实业发展有限公司13262956501 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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