Theophylline, 8-(tetrahydrofurfuryl)thio-6-thio-

CAS 6493-47-6 MFCD N/A

化学结构图

6493-47-6
SMILES: Cn1c(=S)c2nc(SCC3CCCO3)[nH]c2n(C)c1=O

化学属性

Mol. Weight312.44
Mol. FormulaC12H16N4O2S2

别名和识别编码

Chemical NameTheophylline, 8-(tetrahydrofurfuryl)thio-6-thio-
Chemicalbook IDCB92212543
Synonym 6-Thio-8-(2'-tetrahydrofurfuryl)thiotheophylline Uric acid, 1,3-dimethyl-6-thio-8-(tetrahydrofurfuryl)thio-
Wiswesser Line NotationT56 BM DN FNVNYJ F1 H1 IUS CS1- BT5OTJ
Beilstein Registry Number1150036
CAS Number6493-47-6
InChIKeySXLIZCRHKYNSMR-UHFFFAOYSA-N
PubChem Substance ID3034550
InChIInChI=1S/C12H16N4O2S2/c1-15-9-8(10(19)16(2)12(15)17)13-11(14-9)20-6-7-4-3-5-18-7/h7H,3-6H2,1-2H3,(H,13,14)
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安全信息

RTECSXH6746000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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#04458

系列性分类

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