Theophylline, 8-nonylthio-6-thio-

CAS 4791-41-7 MFCD04791417

化学结构图

4791-41-7
SMILES: CCCCCCCCCSc1nc2c(=S)n(C)c(=O)n(C)c2[nH]1

化学属性

Mol. Weight354.58
Mol. FormulaC16H26N4OS2

别名和识别编码

Chemical NameTheophylline, 8-nonylthio-6-thio-
Chemicalbook IDCB32309359
Synonym Uric acid, 1,3-dimethyl-8-nonylthio-6-thio- 6-Thio-8-n-nonylthiotheophylline
Wiswesser Line NotationT56 BM DN FNVNYJ CS9 F1 H1 IUS
Beilstein Registry Number1151759
CAS Number4791-41-7
InChIKeySXFSVWKNNBMDFO-UHFFFAOYSA-N
PubChem Substance ID3034539
InChIInChI=1S/C16H26N4OS2/c1-4-5-6-7-8-9-10-11-23-15-17-12-13(18-15)19(2)16(21)20(3)14(12)22/h4-11H2,1-3H3,(H,17,18)
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安全信息

RTECSXH6350000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 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#04430

系列性分类

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