21787-44-0

21787-44-0 structure

21787-44-0 structure

Name: 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one,(E)-4-hydroxy-4-oxobut-2-enoate
Chemical Name: 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one,(E)-4-hydroxy-4-oxobut-2-enoate
CAS Number: 21787-44-0
Molecular Formula: C₁₈H₂₂N₂O₆
Molecular Weight: 362.37700
Create Date: 2017-11-15 18:03:14
Modify Date: 2024-01-09 10:15:35

Name	4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one,(E)-4-hydroxy-4-oxobut-2-enoate
Synonyms	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)

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

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