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97194-78-0

97194-78-0 structure

97194-78-0 structure

Name: 7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one,iodomethane
Chemical Name: 7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one,iodomethane
CAS Number: 97194-78-0
Molecular Formula: C₁₄H₂₄IN₅OS
Molecular Weight: 437.34300
Create Date: 2017-01-22 06:37:06
Modify Date: 2025-08-24 18:34:41

Name	7-[2-(diethylamino)ethyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one,iodomethane
Synonyms	7-(2-(Diethylamino)ethyl)-6-thiotheophylline methiodide B 6136 Theophylline,7-(2-(diethylamino)ethyl)-6-thio-,methiodide M B 6136

Molecular Formula	C₁₄H₂₄IN₅OS
Molecular Weight	437.34300
Exact Mass	437.07500
PSA	80.08000
LogP	2.19600

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

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