7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one,iodomethane
Names
[ CAS No. ]:
97194-78-0
[ Name ]:
7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one,iodomethane
[Synonym ]:
7-(2-(Diethylamino)ethyl)-6-thiotheophylline methiodide
B 6136
Theophylline,7-(2-(diethylamino)ethyl)-6-thio-,methiodide
M B 6136
Chemical & Physical Properties
[ Molecular Formula ]:
C14H24IN5OS
[ Molecular Weight ]:
437.34300
[ Exact Mass ]:
437.07500
[ PSA ]:
80.08000
[ LogP ]:
2.19600
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5097750
- CHEMICAL NAME :
- Theophylline, 7-(2-(diethylamino)ethyl)-6-thio-, methiodide
- CAS REGISTRY NUMBER :
- 97194-78-0
- LAST UPDATED :
- 199601
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H21-N5-O-S.C-H3-I
- MOLECULAR WEIGHT :
- 437.39
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 :
- >420 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,196,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 14 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,196,1961