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Basic information
- CAS
101526-62-9- Standard SMILES
CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1.Cl- InChIKey
OKXAJGDKHKNFAX-UHFFFAOYSA-N- Molecular formula
- C14H24ClN3O3S
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.1226905
Names & identifiers
- Preferred name
- Sematilide Hydrochloride
- IUPAC
- N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide;hydrochloride
- English name
- Benzamide, N-(2-(diethylamino)ethyl)-4-((methylsulfonyl)amino)-, monoh ydrochloride
- Molecular formula
- C14H23N3O3SHClH2O
- Molecular weight
- 0
Names & synonyms
SEMATILIDE HYDROCHLORIDE101526-62-9Sematilide monohydrochlorideCK-1752ADTXSID6049016Benzamide, N-(2-(diethylamino)ethyl)-4-((methylsulfonyl)amino)-, monohydrochloride1B8MC21ZI2DTXCID1028942RefChem:1098448Sematilide (hydrochloride)CK-1752Sematilide hydrochloride [USAN]
Show more names
Sematilide (CK-1752)Sematilide hydrochloride, 10 mM in DMSOSematilide monohydrochloride monohydrateSematilide monohydrate monohydrochlorideN-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide,hydrochloride
Benzamide, N-(2-(diethylamino)ethyl)-4-((methylsulfonyl)amino)-, monoh ydrochlorideN-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide;hydrochlorideN-(2-(Diethylamino)ethyl)-4-(methylsulfonamido)benzamide hydrochlorideN-[2-(Diethylamino)ethyl]-4-[(methylsulfonyl)amino]benzamide hydrochlorideSematilide hydrochloride (USAN)Sematilide HClBenzamide, N-[2-(diethylamino)ethyl]-4-[(methylsulfonyl)amino]-, hydrochloride (1:1);Benzamide, N-[2-(diethylamino)ethyl]-4-[(methylsulfonyl)amino]-, hydrochloride (1:1)CK 1752A
Database identifiers
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Melting point
- 141 · 141-142° (Lumma); mp 137° and mp 142° (Argentieri)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: ≥16mg/mL
- pka
- 1 · pKa1 7.60; pKa2 9.51(at 25℃)
- form
- powder
- color
- white to beige
- FDA UNII
- 1 B8MC21ZI2 · 1B8MC21ZI2
- WGK Germany
- 3 · 3
- Toxicity
- 50 i.p · LD50 i.p. in mice: 250-300 mg/kg (Lumma); LD50 in mice, rats, dogs (mg/kg): 96, 92, 143-175 i.v.; 1,800, 3,200, 500-1,000 orally (Argentieri)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Toxicity
- LD50 i.p. in mice: 250-300 mg/kg (Lumma); LD50 in mice, rats, dogs (mg/kg): 96, 92, 143-175 i.v.; 1,800, 3,200, 500-1,000 orally (Argentieri)
Chemistry & industry
Applications
UsesCardiac depressant (anti-arrhythmic).
UsesSematilide, also known as CK-1752, is a class III antiarrhythmic. It is a selective delayed rectifier K+ current (IKr) channel blocker. It inhibits rapidly activating Ik in guinea pig atrial myocytes, resulting in the prolongation of action potential duration and refractoriness.
Suppliers19 total
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海技毅生物科技有限公司13621943973 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
常州美泰生物科技有限公司0519-83246372 13585352506
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯裕医药科技有限公司
Related reactions
2 records
Compound notes
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