Theophylline, 6-thio-8-undecylthio-

CAS 6493-36-3 MFCD01682202

化学结构图

6493-36-3
SMILES: CCCCCCCCCCCSc1nc2c([nH]1)c(=S)n(C)c(=O)n2C

化学属性

Mol. FormulaC18H30N4OS2
Mol. Weight382.64

别名和识别编码

Chemical NameTheophylline, 6-thio-8-undecylthio-
Synonym Uric acid, 1,3-dimethyl-6-thio-8-undecylthio- 6-Thio-8-undecylthiotheophylline
Wiswesser Line NotationT56 BM DN FNVNYJ CS11 F1 H1 IUS
Beilstein Registry Number1158302
CAS Number6493-36-3
InChIKeyZCFWGKWIMXVJBC-UHFFFAOYSA-N
PubChem Substance ID3034540
InChIInChI=1S/C18H30N4OS2/c1-4-5-6-7-8-9-10-11-12-13-25-17-19-14-15(20-17)21(2)18(23)22(3)16(14)24/h4-13H2,1-3H3,(H,19,20)
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安全信息

RTECSXH6748000 
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#04447

系列性分类

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