3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine

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Names

[ CAS No. ]:
165611-01-8

[ Name ]:
3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine

[Synonym ]:
3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine
5-chloromethyl-7-phenyl-isoxazolo[4,5-d]pyrimidine-3-carboxamide
Isoxazolo(4,5-d)pyrimidine-3-carboxamide,5-(chloromethyl)-7-phenyl

Chemical & Physical Properties

[ Density]:
1.46g/cm3

[ Boiling Point ]:
485.7ºC at 760mmHg

[ Molecular Formula ]:
C13H9ClN4O2

[ Molecular Weight ]:
288.68900

[ Flash Point ]:
247.6ºC

[ Exact Mass ]:
288.04100

[ PSA ]:
95.89000

[ LogP ]:
3.00670

[ Vapour Pressure ]:
1.38E-09mmHg at 25°C

[ Index of Refraction ]:
1.671

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY3400892
CHEMICAL NAME :
Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-
CAS REGISTRY NUMBER :
165611-01-8
LAST UPDATED :
199606
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H9-Cl-N4-O2
MOLECULAR WEIGHT :
288.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year: 50,183,1995

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 2-(Thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
  • N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
  • 3-(4-morpholin-4-ylphenyl)-1{H}-pyrazole-5-carboxylic acid
  • 2-{[5-(Piperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
  • [4-(3-Chlorophenyl)piperazino][2-(3-pyridyl)-4-quinolyl]methanone
  • 6-chloro-2-(2,2-dimethylpropyl)-1H-1,3-benzodiazole
  • {[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl}methanimidamide
  • tert-Butyl 2-(1H-indol-1-yl)ethylcarbamate
  • N-[2-(4-hydroxyphenyl)ethyl]-3-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
  • N4-(2-methoxyethyl)-N2-(3,4,5-trimethoxyphenyl)pteridine-2,4-diamine
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