1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione

Names

[ CAS No. ]:
128059-51-8

[ Name ]:
1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)purine-2,6-dione

[Synonym ]:
7-(1,3-Oxathiolan-2-ylmethyl)theophylline
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)
3,7-Dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl)-1H-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.61g/cm3

[ Boiling Point ]:
552.3ºC at 760mmHg

[ Molecular Formula ]:
C11H14N4O3S

[ Molecular Weight ]:
282.31900

[ Flash Point ]:
287.8ºC

[ Exact Mass ]:
282.07900

[ PSA ]:
96.35000

[ Vapour Pressure ]:
3.06E-12mmHg at 25°C

[ Index of Refraction ]:
1.745

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8427850
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-oxathiolan-2-ylmethyl )-
CAS REGISTRY NUMBER :
128059-51-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-N4-O3-S
MOLECULAR WEIGHT :
282.35

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 :
980 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 24,635,1989

Related Compounds

  • 2-Methoxy-3-[5-(4-morpholinylmethyl)-1,2,4-oxadiazol-3-yl]benzenamine
  • 2-methoxy-3-methyl-4-(1-methyl-1H-1,2,4-triazol-3-yl)aniline
  • 2-Methoxy-4-(1-methyl-1H-imidazol-4-yl)benzenamine
  • 2-Methoxy-4-[(4-methylphenyl)methyl]benzoic acid
  • 2-methoxy-4-methyl-3-(1-methyl-1H-1,2,4-triazol-3-yl)Benzenamine
  • 2-Methoxy-6-phenyl-8-quinolinecarboxaldehyde
  • 2-Methyl-1-oxo-1-((2-oxotetrahydrofuran-3-yl)oxy)propan-2-yl acrylate
  • 2-Methyl-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxylic acid
  • 2-Methylpropyl 5-bromo-4-chloro-2-thiophenecarboxylate
  • 2-Propen-1-yl N-[2-[(4-methoxyphenyl)thio]ethyl]carbamate
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