Theophylline, 8-ethylthio-2-thio-

CAS 4989-72-4 MFCD N/A

化学结构图

4989-72-4
SMILES: CCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight256.37
Mol. FormulaC9H12N4OS2

别名和识别编码

Synonym 2-Thio-8-ethylthiotheophylline Uric acid, 1,3-dimethyl-8-ethylthio-2-thio-
Wiswesser Line NotationT56 BM DN FNYNVJ CS2 F1 GUS H1
Chemical NameTheophylline, 8-ethylthio-2-thio-
Beilstein Registry Number1126190
CAS Number4989-72-4
InChIKeyFJJMWVUYANHDBE-UHFFFAOYSA-N
PubChem Substance ID96967
InChIInChI=1S/C9H12N4OS2/c1-4-16-8-10-5-6(11-8)12(2)9(15)13(3)7(5)14/h4H2,1-3H3,(H,10,11)
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安全信息

RTECSXH5622000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04423

系列性分类

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