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

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Names

[ CAS No. ]:
165611-02-9

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

[Synonym ]:
Isoxazolo(4,5-d)pyrimidine-3-carboxamide,5-((methylthio)methyl)-7-phenyl
3-Carbamido-5-(methylthiomethyl)-7-phenylisoxazolo(4,5-d)pyrimidine
5-((Methylthio)methyl)-7-phenylisoxazolo(4,5-d)pyrimidine-3-carboxamide

Chemical & Physical Properties

[ Density]:
1.385g/cm3

[ Boiling Point ]:
501.1ºC at 760mmHg

[ Molecular Formula ]:
C14H12N4O2S

[ Molecular Weight ]:
300.33600

[ Flash Point ]:
256.8ºC

[ Exact Mass ]:
300.06800

[ PSA ]:
121.19000

[ LogP ]:
3.13090

[ Vapour Pressure ]:
3.59E-10mmHg at 25°C

[ Index of Refraction ]:
1.678

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY3402676
CHEMICAL NAME :
Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-
CAS REGISTRY NUMBER :
165611-02-9
LAST UPDATED :
199606
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H12-N4-O2-S
MOLECULAR WEIGHT :
300.36

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

Related Compounds

  • 2-(1H-imidazol-1-ylcarbonyl)[1,2,4]triazolo[1,5-a]pyrimidine
  • 5-(1-((2,4-Difluorophenyl)sulfonyl)azetidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
  • 5-(1-((3,5-Dimethylisoxazol-4-yl)sulfonyl)azetidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
  • (E)-5-(1-(styrylsulfonyl)azetidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
  • 3-Chloro-12-oxa-4,7,8-triazatricyclo[7.4.0.0,2,7]trideca-1,3,5,8-tetraene
  • 3-(Thiophen-2-ylmethyl)-5-(1-((4-(trifluoromethyl)phenyl)sulfonyl)azetidin-3-yl)-1,2,4-oxadiazole
  • 5-(1-((3-Chlorophenyl)sulfonyl)azetidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
  • 5-(1-((5,6,7,8-Tetrahydronaphthalen-2-yl)sulfonyl)azetidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
  • Methyl 4-[(3-{3-[(thiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl}azetidin-1-yl)sulfonyl]benzoate
  • 2,2-dimethyl-1-(3-(5-methyl-1H-benzo[d]imidazol-2-yl)azetidin-1-yl)propan-1-one
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