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123040-16-4

Basic Information
CAS No.: 123040-16-4
Name: Azasetron hydrochloride
Article Data: 4
Molecular Structure:
Molecular Structure of 123040-16-4 (Azasetron hydrochloride)
Formula: C17H20ClN3O3.HCl
Molecular Weight: 386.278
Synonyms: 2H-1,4-Benzoxazine-8-carboxamide,N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-,monohydrochloride (9CI);(?à)-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-(3-quinuclidinyl)-2H-1,4-benzoxazine-8-carboxamidehydrochloride;Serotone;Y 25130;
EINECS: 692-159-3
Melting Point: 281° (dec); mp 305° (dec) (Kawakita)
Boiling Point: 558 °C at 760 mmHg
Flash Point: 291.2 °C
PSA: 61.88000
LogP: 2.71500
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Chemistry

IUPAC Name: N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-
carboxamide hydrochloride
Product Categories: anti-emetic;Serotonin receptor
CAS NO:123040-16-4
Molecular Formula: C17H21Cl2N3O3
Molecular Weight : 386.2729
Molecular Structure:
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 53.09Å2
Flash Point: 291.2 °C
Enthalpy of Vaporization: 83.99 kJ/mol
Boiling Point: 558 °C at 760 mmHg
Vapour Pressure: 1.75E-12 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 300mg/kg (300mg/kg)   Drugs in Japan Vol. -, Pg. 7, 1995.
rat LD50 intravenous 132mg/kg (132mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 42, Pg. 255, 1991.

Specification

 Azasetron hydrochloride (CAS NO.123040-16-4) is also called 2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride ; 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride ; Serotone .