7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one
Names
[ CAS No. ]:
92985-74-5
[ Name ]:
7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one
[Synonym ]:
M &M B 6631
1,3-Dimethyl-7-aethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin
Theophylline,7-ethyl-6-thio
7-Ethyl-6-thiotheophylline
7-ethyl-1,3-dimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one
B 6631
Chemical & Physical Properties
[ Molecular Formula ]:
C9H12N4OS
[ Molecular Weight ]:
224.28300
[ Exact Mass ]:
224.07300
[ PSA ]:
76.84000
[ LogP ]:
0.82290
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5621000
- CHEMICAL NAME :
- Theophylline, 7-ethyl-6-thio-
- CAS REGISTRY NUMBER :
- 92985-74-5
- BEILSTEIN REFERENCE NO. :
- 0532656
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H12-N4-O-S
- MOLECULAR WEIGHT :
- 224.31
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 :
- 515 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