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

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • Methyl 3'-chloro-4'-fluoro[1,1'-biphenyl]-4-carboxylate
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 7-Methoxy-indole-1-acetic acid
  • tert-Butyl-DL-alanine