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

Related Compounds

  • 2-Methoxy-4-[2-(piperidin-1-yl)ethoxy]aniline
  • 4-Tert-butyl-1-acetamidocyclohexane-1-carboxylic acid
  • 2-(N-methylacetamido)-2-(2,4,6-trimethylphenyl)acetic acid
  • 2,2-dimethyl-2H-thiochromene-3-carboxylic acid
  • Bicyclo[2.2.1]heptan-2-amine, 1-(chloromethyl)-
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 2-propoxyethyl ester
  • Methyl (s)-2-((tert-butoxycarbonyl)(methyl)amino)-3-methyl-3-phenylbutanoate
  • 3-(2-Chloroethoxy)-2,2-dimethylpropanenitrile
  • 2-(4-Chlorophenyl)-2-(N-isopropylacetamido)acetic Acid
  • 5-Chloro-2-((1,1-dimethylethyl)sulfonamido)benzoic acid
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