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Azasetron hydrochloride

Azasetron hydrochloride structure

CAS No:
123040-69-7
Formula:
C17H20ClN3O3
Chemical Name:
Azasetron hydrochloride
Synonyms:
N-1-AZABICYCLO[2.2.2]-OCT-3-YL-6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-2H-1,4-BENZOXAZINE-8-CARBOXAMIDE, HYDROCHLORIDE;N-(1-AZABICYCLO[2.2.2]OCT-3-YL)-6-CHLORO-4-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-8-CARBOXAMIDE HCL;N-(1-AZABICYCLO[2.2.2]OCT-3-YL)-6-CHLORO-4-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-8-CARBOXAMIDE HYDROCHLORIDE;Y-25130;Y-25130 HYDROCHLORIDE;AZASETRON HCL;Azasetron base;6-chloro-3-keto-4-methyl-N-quinuclidin-3-yl-1,4-benzoxazine-8-carboxamide
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

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Description

White to Off-White Solid

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is a benzoxazine.

ChEBI: Azasetron hydrochloride is a benzoxazine.

Azasetron hydrochloride Basic Attributes

Molecular Weight：

349.81

Exact Mass：

349.81

EC Number：

1533716-785-6

DSSTox ID：

DTXSID7045651

HScode：

32041300

Characteristics

PSA：

61.88000

XLogP3：

1.60

Appearance：

white crystalline

Density：

1.42±0.1 g/cm3(Predicted)

Melting Point：

301-303°C

Boiling Point：

558.0±50.0 °C(Predicted)

Flash Point：

291.2±30.1 °C

Refractive Index：

1.650

Storage Conditions：

-20°C Freezer

Vapor Pressure：

1.75E-12mmHg at 25°C

PKA：

13.31±0.20(Predicted)

Critical Temperature & Pressure：

-20°C Freezer

Safety Information

wgk germany：

hazard class code：

R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

22-24/25

RTECS Number：

SP5670000

Drug Information

MeSH：

Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS. (See all compounds classified as Serotonin Antagonists.)|Drugs used to prevent NAUSEA or VOMITING. (See all compounds classified as Antiemetics.)

MeSH Entry Terms：

azasetron

Azasetron hydrochloride Use and Manufacturing

A 5-HT3 receptor antagonist.Used as an antiemetic

Computed Properties

Molecular Weight:349.8
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:349.1193192
Monoisotopic Mass:349.1193192
Topological Polar Surface Area:61.9
Heavy Atom Count:24
Complexity:523
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ammonium chloride

Sodium bicarbonate

Thionyl chloride