Theophylline, 8-(propylthio)dithio-

CAS 6616-05-3 MFCD N/A

化学结构图

6616-05-3
SMILES: CCCSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C

化学属性

Mol. Weight286.46
Mol. FormulaC10H14N4S3

别名和识别编码

Chemical NameTheophylline, 2,6-dithio-8-propylthio-
Chemicalbook IDCB22215262
Synonym 2,6-Dithio-8-n-propylthiotheophylline Uric acid, 1,3-dimethyl-2,6-dithio-8-propylthio-
Wiswesser Line NotationT56 BM DN FNYNYJ CS3 F1 GUS H1 IUS
Beilstein Registry Number1131323
CAS Number6616-05-3
InChIKeyIPBFBAWZCNXDPU-UHFFFAOYSA-N
PubChem Substance ID3034530
InChIInChI=1S/C10H14N4S3/c1-4-5-17-9-11-6-7(12-9)13(2)10(16)14(3)8(6)15/h4-5H2,1-3H3,(H,11,12)
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安全信息

RTECSXH5157000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 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#04446

系列性分类

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