Basic information
- CAS
101526-83-4- Standard SMILES
CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1- InChIKey
KHYPYQZQJSBPIX-UHFFFAOYSA-N- Molecular formula
- C14H23N3O3S
- Average molar mass
- 313.42 g/mol
- Monoisotopic mass
- 313.14601278
Overview
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.
Names & identifiers
- Preferred name
- Sematilide
- IUPAC
- N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide
- English name
- N-(DIETHYLAMINOETHYL)-4-METHYLSULFOAMINOBENZAMIDE
- Molecular formula
- C14H23N3O3S
- Molecular weight
- 313.42
Names & synonyms
Sematilide101526-83-4sematilida0NHB13IN3RDTXSID0058720sematilidumRefChem:182337DTXCID3032414Sematilide [INN]N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamideN-(DIETHYLAMINOETHYL)-4-METHYLSULFOAMINOBENZAMIDEN-(2-(Diethylamino)ethyl)-4-(methylsulfonamido)benzamide
Show more names
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
Database identifiers
- CAS
101526-83-4
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Experimental & physicochemical properties
LogP1.36
Physicochemical properties
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 7.43 · 7.43±0.10(Predicted)
- FDA UNII
- 0 NHB13IN3R · 0NHB13IN3R
Chemistry & industry
Pharmacology
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.
Applications
UsesCardiac depressant (anti-arrhythmic).
Suppliers11 total
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）
Related reactions
1 records
Compound notes
Loading…