2-Thio-8-(N-nonylthio)theophylline

CAS 4776-11-8 MFCD N/A

化学结构图

4776-11-8
SMILES: CCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight354.58
Mol. FormulaC16H26N4OS2

别名和识别编码

Chemical NameTheophylline, 8-nonylthio-2-thio-
Chemicalbook IDCB02394204
Synonym 2-Thio-8-n-nonylthiotheophylline Uric acid, 1,3-dimethyl-8-nonylthio-2-thio-
Wiswesser Line NotationT56 BM DN FNYNVJ CS9 F1 GUS H1
Beilstein Registry Number1151760
CAS Number4776-11-8
InChIKeyWHILDIYQLWNTLZ-UHFFFAOYSA-N
PubChem Substance ID96990
InChIInChI=1S/C16H26N4OS2/c1-4-5-6-7-8-9-10-11-23-15-17-12-13(18-15)19(2)16(22)20(3)14(12)21/h4-11H2,1-3H3,(H,17,18)
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安全信息

RTECSXH6330000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 18 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#04436

系列性分类

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