1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((3-chlorophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-

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Names

[ CAS No. ]:
72754-68-8

[ Name ]:
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((3-chlorophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-

Chemical & Physical Properties

[ Density]:
1.33g/cm3

[ Boiling Point ]:
625.9ºC at 760mmHg

[ Molecular Formula ]:
C22H22ClN5O2

[ Molecular Weight ]:
423.89500

[ Flash Point ]:
332.3ºC

[ Exact Mass ]:
423.14600

[ PSA ]:
73.85000

[ LogP ]:
2.85720

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8413206
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((3-chlorophenyl)phenylmethyl)amino )ethyl)-1,3- dimethyl-
CAS REGISTRY NUMBER :
72754-68-8
BEILSTEIN REFERENCE NO. :
1186028
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C22-H22-Cl-N5-O2
MOLECULAR WEIGHT :
423.94

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 14,383,1979

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Chlorobenzophenone
  • Aminoethyl theophylline

DownStream