4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1)

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Names

[ CAS No. ]:
76536-69-1

[ Name ]:
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1)

Chemical & Physical Properties

[ Density]:
1.19g/cm3

[ Boiling Point ]:
588.5ºC at 760 mmHg

[ Molecular Formula ]:
C₅₀H₆₀N₆O₇

[ Molecular Weight ]:
857.04700

[ Exact Mass ]:
856.45200

[ PSA ]:
122.41000

[ LogP ]:
9.06930

[ Index of Refraction ]:
1.603

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW7720000

CAS REGISTRY NUMBER :: 76536-69-1

LAST UPDATED :: 198803

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C25-H29-N3-O3.1/2H2-O

MOLECULAR WEIGHT :: 428.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 65 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: 27,1470,1984

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Ethyl iodide
9,10-dimethoxy-2-(2,4,6-trimethylanilino)-6,7-dihydro-4H-pyrimido(6,1-a)isoquinolin-4-one
Urea,N-[2-(3,4-dimethoxyphenyl)ethyl]-
4-nitrophenyl decanoyl-L-phenylalaninate
9,10-Dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido(6,1-a)isoquinolin-2,4-dione

DownStream