Theophylline, 8-(4-pyridylmethyl)thio-6-thio-

CAS 6493-45-4 MFCD06493454

化学结构图

6493-45-4
SMILES: Cn1c(=S)c2nc(SCc3ccncc3)[nH]c2n(C)c1=O

化学属性

Mol. Weight319.43
Mol. FormulaC13H13N5OS2

别名和识别编码

Chemical NameTheophylline, 8-(4-pyridylmethyl)thio-6-thio-
Chemicalbook IDCB82205160
Synonym 6-Thio-8-(4'-pyridylmethyl)thiotheophylline Uric acid, 1,3-dimethyl-8-(4-pyridylmethyl)thio-6-thio-
Wiswesser Line NotationT56 BM DN FNVNYJ F1 H1 IUS CS1- DT6NJ
Beilstein Registry Number1156560
CAS Number6493-45-4
InChIKeyHSSOACXLVAMCIS-UHFFFAOYSA-N
PubChem Substance ID3034548
InChIInChI=1S/C13H13N5OS2/c1-17-10-9(11(20)18(2)13(17)19)15-12(16-10)21-7-8-3-5-14-6-4-8/h3-6H,7H2,1-2H3,(H,15,16)
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安全信息

RTECSXH6497700 
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#04456

系列性分类

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