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

  • 3-[(1-methyl-1H-indol-7-yl)methyl]azetidin-3-ol
  • 2-Chloro-1-(2,5-dimethoxypyridin-4-yl)ethan-1-ol
  • 1-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)cyclopropane-1-carbonitrile
  • 9-Amino-7,7-difluorobicyclo[3.3.1]nonane-3-carboxylic acid
  • 1-[1-(6-chloro-1H-indol-3-yl)cyclopropyl]ethan-1-ol
  • 3-[(4-Bromofuran-2-yl)methyl]piperidin-3-ol
  • 3-(2-Chloro-6-fluorophenyl)-3,3-difluoropropanoic acid
  • 3-Amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
  • 2-Methyl-2-(pyrimidin-2-yl)propan-1-ol
  • tert-butyl N-[4-(2,2-difluoro-1-hydroxyethyl)-2-methylphenyl]carbamate
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