Nestifylline
Names
[ CAS No. ]:
116763-36-1
[ Name ]:
Nestifylline
[Synonym ]:
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]
Chemical & Physical Properties
[ Density]:
1.62g/cm3
[ Boiling Point ]:
559.9ºC at 760mmHg
[ Molecular Formula ]:
C11H14N4O2S2
[ Molecular Weight ]:
298.38400
[ Flash Point ]:
292.4ºC
[ Exact Mass ]:
298.05600
[ PSA ]:
112.42000
[ LogP ]:
0.23980
[ Vapour Pressure ]:
1.45E-12mmHg at 25°C
[ Index of Refraction ]:
1.788
Toxicological Information
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