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