4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one,(E)-4-hydroxy-4-oxobut-2-enoate
Names
[ CAS No. ]:
21787-44-0
[ Name ]:
4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one,(E)-4-hydroxy-4-oxobut-2-enoate
[Synonym ]:
2H-1,4-BENZOXAZIN-3(4H)-ONE,4-(1-ETHYL-3-PYRROLIDINYL)-,FUMARATE (1:1)
4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one
4-(1-Ethyl-3-pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-one fumarate (1:1)
Chemical & Physical Properties
[ Molecular Formula ]:
C18H22N2O6
[ Molecular Weight ]:
362.37700
[ Exact Mass ]:
362.14800
[ PSA ]:
107.38000
[ LogP ]:
1.22090
[ Vapour Pressure ]:
6.93E-08mmHg at 25°C
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DM3857700
- CAS REGISTRY NUMBER :
- 21787-44-0
- LAST UPDATED :
- 198812
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H18-N2-O2.C4-H4-O4
- MOLECULAR WEIGHT :
- 362.42
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,583,1969