Theophylline, 2-thio-8-undecylthio-

CAS 6466-11-1 MFCD06466111

化学结构图

6466-11-1
SMILES: CCCCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight382.64
Mol. FormulaC18H30N4OS2

别名和识别编码

Synonym 2-Thio-8-n-undecylthiotheophylline Uric acid, 1,3-dimethyl-2-thio-8-undecylthio-
Wiswesser Line NotationT56 BM DN FNYNVJ CS11 F1 GUS H1
Chemical NameTheophylline, 2-thio-8-undecylthio-
Beilstein Registry Number1158301
CAS Number6466-11-1
InChIKeyAMIHARDZZIHHLH-UHFFFAOYSA-N
PubChem Substance ID97057
InChIInChI=1S/C18H30N4OS2/c1-4-5-6-7-8-9-10-11-12-13-25-17-19-14-15(20-17)21(2)18(24)22(3)16(14)23/h4-13H2,1-3H3,(H,19,20)
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安全信息

RTECSXH6747500 
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#04451

系列性分类

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