Azasetron HCl

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Names

[ Name ]:
Azasetron HCl

[Synonym ]:
Azasetron HCl
UNII:2BSS7XL60S
AZASETRON
Azasetron (hydrochloride)
MFCD00209913
Y-25130 Hydrochloride
N-1-AZABICYCLO[2.2.2]OCT-3-YL-6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-2H-1,4-BENZOXAZINE-8-CARBOXAMIDE
Serotone
2H-1,4-BENZOXAZINE-8-CARBOXAMIDE,N-1-AZABICYCLO[2.2.2]OCT-3-YL-6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-,HYDROCHLORIDE (1:1)
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 (1:1)
INTERMEDIATE OF AZASETRON HCL
2H-1,4-BENZOXAZINE-8-CARBOXAMIDE, 3,4-DIHYDRO-N-1-AZABICYCLO(2.2.2)OCT-3-YL-6-C
Azasetron hydrochloride
2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, hydrochloride (1:1)
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
Azasetronhydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
558ºC at 760 mmHg

[ Molecular Formula ]:
C₁₇H₂₁Cl₂N₃O₃

[ Molecular Weight ]:
386.273

[ Flash Point ]:
291.2ºC

[ Exact Mass ]:
385.096008

[ PSA ]:
61.88000

[ LogP ]:
2.71500

[ Storage condition ]:
Desiccate at -20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM3001200

CHEMICAL NAME :: 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

CAS REGISTRY NUMBER :: 123040-16-4

LAST UPDATED :: 199706

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C17-H20-Cl-N3-O3.Cl-H

MOLECULAR WEIGHT :: 386.31

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 132 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 42,255,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,7,1995 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 910 mg/kg/13W-I

TOXIC EFFECTS :: Behavioral - food intake (animal) Endocrine - changes in spleen weight Nutritional and Gross Metabolic - other changes

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 42,255,1991

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 9100 mg/kg/13W-I

TOXIC EFFECTS :: Behavioral - ataxia Gastrointestinal - nausea or vomiting Blood - changes in bone marrow (not otherwise specified)

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 51,343,1996

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 2730 mg/kg/91D-I

TOXIC EFFECTS :: Liver - other changes Endocrine - hypoglycemia Blood - pigmented or nucleated red blood cells

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,489,1992 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 7500 mg/kg

SEX/DURATION :: female 17-21 day(s) after conception female 20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 52,77,1996

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

DOSE :: 1100 mg/kg

SEX/DURATION :: female 7-17 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - physical

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 44,61,1992

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

DOSE :: 2600 mg/kg

SEX/DURATION :: female 7-21 day(s) after conception lactating female 21 day(s) post-birth

TOXIC EFFECTS :: Reproductive - Effects on Newborn - physical

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 44,79,1992

Safety Information

[ Safety Phrases ]:
S22-S24/25

[ WGK Germany ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(RS)-3-amino-1-azabicyclo[2.2.2]octane
6-CHLORO-3,4-DIHYROGEN-4-METHYL-3-OXO-2H-1,4-BENZOXAZOLE-8-ACYLCHLORIDE

DownStream

Related Compounds

Azasetron HCl
azasetron
Azasetron hydrochloride
Azasetron
EPZ020411 HCl
Difelikefalin HCl
2-bromo-N-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)ethyl)benzamide
1-(4-chlorophenyl)-N-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)ethyl)cyclopentanecarboxamide
4-(Cyclopropylmethyl)-1,3-thiazol-2-amine
2-(2-chlorophenyl)-N-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)ethyl)acetamide
5-(1,2-dithiolan-3-yl)-N-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)ethyl)pentanamide
5-chloro-2-methoxy-N-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)ethyl)benzenesulfonamide
N-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)ethyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
N-(2-(6-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)ethyl)-2,4-dimethylthiazole-5-carboxamide
(1-methyl-1H-indazol-3-yl)(3-(5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl)methanone
(2-(Ethylthio)phenyl)(3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl)methanone

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