1H-Purine-2,6-dione,7-(1,3-dithiolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-
- 中文别名：7-(1,3-二噻戊环-2-基甲基)-1,3-二甲基黄嘌呤
- 英文别名：7-(1,3-dithiolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione;
7-(1,3-dithiolan-2-ylmethyl)theophylline;
3,7-Dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl)-1H-purine-2,6-dione;
Nestifyllinum [INN-Latin];
Abc 99;
Nestifilina [INN-Spanish];
7-(1,3-Dithiolan-2-ylmethyl)-1,3-dimethylxanthine;
7-(1,3-dithiolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione;
Nestifylline;
Nestifylline [INN]
- CAS No.：116763-36-1
- 分子式：
C11H14N4O2S2
- 分子量：0
- 精确分子量：298.05600
- PSA：112.42000
- InChI：The Key: HIQUBRAKVZRBRW-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.62g/cm3
- 沸点：
- 559.9ºC at 760mmHg
- 闪点：
- 292.4ºC
- 折射率：
- 1.788
- 蒸汽压：
- 1.45E-12mmHg at 25°C
安全信息
- 密度：
- 1.62g/cm3
- 沸点：
- 559.9ºC at 760mmHg
- 闪点：
- 292.4ºC
- 折射率：
- 1.788
- 蒸汽压：
- 1.45E-12mmHg at 25°C
毒理性
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
