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-{[(Benzyloxy)carbonyl]amino}-3-(thiolan-2-yl)propanoic acid
  • 1-(Cyclobutylmethyl)-4-(2,4-dimethylphenyl)-1,2,3,4-tetrahydropyrazine-2,3-dione
  • (2R)-2-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)propanoic acid
  • 2-{[(Benzyloxy)carbonyl]amino}-4-hydroxy-5-methylhexanoic acid
  • 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-8-methylnonanoic acid
  • 2-{[(Benzyloxy)carbonyl]amino}-6-methylhept-5-enoic acid
  • 2-{[(Tert-butoxy)carbonyl]amino}-3-(2-chloro-1,3-thiazol-4-yl)propanoic acid
  • 2-{[(tert-butoxy)carbonyl]amino}-3-(5-chloro-1-methyl-1H-pyrazol-3-yl)propanoic acid
  • 3-ethyl-1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoyl]azetidine-3-carboxylic acid
  • 1-(3-Chloro-4-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydropyrazine-2,3-dione
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