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

名称

[ CAS 号 ]:
128059-51-8

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

[英文别名 ]:

7-(1,3-Oxathiolan-2-ylmethyl)theophylline

物理化学性质

[ 密度 ]:
1.61g/cm3

[ 沸点 ]:
552.3ºC at 760mmHg

[ 分子式 ]:
C₁₁H₁₄N₄O₃S

[ 分子量 ]:
282.31900

[ 闪点 ]:
287.8ºC

[ 精确质量 ]:
282.07900

[ PSA ]:
96.35000

[ 蒸汽压 ]:
3.06E-12mmHg at 25°C

[ 折射率 ]:
1.745

毒性和生态

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

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