7-(1,3-dithiolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
名称
[ CAS 号 ]:
116763-36-1
[ 英文名 ]:
7-(1,3-dithiolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
[英文别名 ]:
- 7-(1,3-dithiolan-2-ylmethyl)theophylline
- Nestifyllinum [INN-Latin]
- Abc 99
- Nestifilina [INN-Spanish]
- 7-(1,3-Dithiolan-2-ylmethyl)-1,3-dimethylxanthine
- Nestifylline
- Nestifylline [INN]
物理化学性质
[ 密度 ]:
1.62g/cm3
[ 沸点 ]:
559.9ºC at 760mmHg
[ 分子式 ]:
C11H14N4O2S2
[ 分子量 ]:
298.38400
[ 闪点 ]:
292.4ºC
[ 精确质量 ]:
298.05600
[ PSA ]:
112.42000
[ LogP ]:
0.23980
[ 蒸汽压 ]:
1.45E-12mmHg at 25°C
[ 折射率 ]:
1.788
毒性和生态
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UO8422650
- CHEMICAL NAME :
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl) -
- CAS REGISTRY NUMBER :
- 116763-36-1
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C11-H14-N4-O2-S2
- MOLECULAR WEIGHT :
- 298.41
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1835 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4868186
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 457 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DECRDP Drugs under Experimental and Clinical Research. (Bioscience Ediprint, Blvd. James-Fazy 13, 1201 Geneva 1, Switzerland) V.1- 1977- Volume(issue)/page/year: 16,263,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1200 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
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 534 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DECRDP Drugs under Experimental and Clinical Research. (Bioscience Ediprint, Blvd. James-Fazy 13, 1201 Geneva 1, Switzerland) V.1- 1977- Volume(issue)/page/year: 16,263,1990
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