Theophylline, 8-decylthio-2-thio-

CAS 6466-10-0 MFCD06466100

化学结构图

6466-10-0
SMILES: CCCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight368.61
Mol. FormulaC17H28N4OS2

别名和识别编码

Chemical NameTheophylline, 8-decylthio-2-thio-
Chemicalbook IDCB62313452
Synonym Uric acid, 8-decylthio-1,3-dimethyl-2-thio- 2-Thio-8-n-decylthiotheophylline
Wiswesser Line NotationT56 BM DN FNYNVJ CS10 F1 GUS H1
Beilstein Registry Number1154406
CAS Number6466-10-0
InChIKeyQHQKXMOBJVNMNT-UHFFFAOYSA-N
PubChem Substance ID201648
InChIInChI=1S/C17H28N4OS2/c1-4-5-6-7-8-9-10-11-12-24-16-18-13-14(19-16)20(2)17(23)21(3)15(13)22/h4-12H2,1-3H3,(H,18,19)
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安全信息

RTECSXH5093900 
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#04437

系列性分类

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