Theophylline, 8-butylthio-2-thio-

CAS 4989-74-6 MFCD N/A

化学结构图

4989-74-6
SMILES: CCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight284.43
Mol. FormulaC11H16N4OS2

别名和识别编码

Synonym Uric acid, 8-8-butylthio-1,3-dimethyl-2-thio- 2-Thio-8-n-butylthiotheophylline
Wiswesser Line NotationT56 BM DN FNYNVJ CS4 F1 GUS H1
Chemical NameTheophylline, 8-butylthio-2-thio-
Beilstein Registry Number2990934
CAS Number4989-74-6
InChIKeyNAOMXTHKMDASIF-UHFFFAOYSA-N
PubChem Substance ID96973
InChIInChI=1S/C11H16N4OS2/c1-4-5-6-18-10-12-7-8(13-10)14(2)11(17)15(3)9(7)16/h4-6H2,1-3H3,(H,12,13)
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安全信息

RTECSXH5057000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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#04428

系列性分类

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