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Semotiadil

Semotiadil structure

CAS No:
116476-13-2
Formula:
C29H32N2O6S
Chemical Name:
Semotiadil
Synonyms:
2H-1,4-Benzothiazin-3(4H)-one,2-[2-[3-[[2-(1,3-benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-methoxyphenyl]-4-methyl-,(2R)-;2H-1,4-Benzothiazin-3(4H)-one,2-[2-[3-[[2-(1,3-benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-methoxyphenyl]-4-methyl-,(R)-;(2R)-2-[2-[3-[[2-(1,3-Benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-methoxyphenyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one;Semotiadil;DS 4823;Sesamodil;139509-02-7
Categories:
Active Pharmaceutical Ingredients > Circulatory System Drugs

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Semotiadil Basic Attributes

Molecular Weight：

536.646

Exact Mass：

536.64

UNII：

DGN08QZ30G

Characteristics

PSA：

XLogP3：

5.07840

Density：

1.263g/cm3

Boiling Point：

727.3ºC at 760mmHg

Flash Point：

393.7ºC

Refractive Index：

1.61

Vapor Pressure：

5.23E-21mmHg at 25°C

Drug Information

MeSH：

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. (See all compounds classified as Anti-Arrhythmia Agents.)|A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)

MeSH Entry Terms：

3,4-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-benzothiazine

Semotiadil Use and Manufacturing

Calcium antagonist. Used for the treatment of cardiovascular diseases.

Computed Properties

Molecular Weight:536.6
XLogP3:5.1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:536.19810792
Monoisotopic Mass:536.19810792
Topological Polar Surface Area:95
Heavy Atom Count:38
Complexity:761
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Fumaric acid

Sodium bicarbonate

Dimethylformamide