Theophylline, 8-mercapto-6-thio-

CAS 2006-51-1 MFCD N/A

化学结构图

2006-51-1
SMILES: Cn1c(=S)c2[nH]c(=S)[nH]c2n(C)c1=O

化学属性

Mol. Weight228.31
Mol. FormulaC7H8N4OS2

别名和识别编码

Chemical NameTheophylline, 8-mercapto-6-thio-
Chemicalbook IDCB82261423
Synonym 6-Thio-8-mercaptotheophylline
Wiswesser Line NotationT56 BM DN FNVNYJ CSH F1 H1 IUS
CAS Number2006-51-1
PubChem Substance ID3034523
InChIInChI=1S/C7H8N4OS2/c1-10-4-3(8-6(14)9-4)5(13)11(2)7(10)12/h1-2H3,(H2,8,9,14)
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安全信息

RTECSXH5923000 
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#04419

系列性分类

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