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92985-74-5

92985-74-5 structure

92985-74-5 structure

Name: 7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one
Chemical Name: 7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one
CAS Number: 92985-74-5
Molecular Formula: C₉H₁₂N₄OS
Molecular Weight: 224.28300
Create Date: 2016-09-16 18:38:00
Modify Date: 2024-01-31 12:37:48

Name	7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one
Synonyms	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

Molecular Formula	C₉H₁₂N₄OS
Molecular Weight	224.28300
Exact Mass	224.07300
PSA	76.84000
LogP	0.82290

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