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

Related Compounds

  • 7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one,hydrochloride
  • 7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one,iodomethane
  • 4-(1-hydroxy-ethyl)-1,3-dimethyl-6-thioxo-tetrahydro-pyrimidin-2-one
  • 2H-Purin-2-one,7-ethyl-1,3,6,7-tetrahydro-3-methyl-6-thioxo-(9CI)
  • 7-ethyl-1,3-dimethyl-8-((2-morpholinoethyl)thio)-3,7-dihydro-1H-purine-2,6-dione
  • 7-ethyl-1,3-dimethyl-8-nitro-1H-purine-2,6(3H,7H)-dione
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-(2-benzyl-1H-benzimidazol-1-yl)-1-(piperidin-1-yl)ethanone
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 2-(2-Furylmethyl)isoindolin-1-imine hydrobromide
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • Methyl (pyridin-4-ylmethyl)glycinate
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde