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

CAS 4776-10-7 MFCD N/A

化学结构图

4776-10-7
SMILES: CCCCCCCSc1nc2c(=O)n(C)c(=S)n(C)c2[nH]1

化学属性

Mol. Weight326.52
Mol. FormulaC14H22N4OS2

别名和识别编码

Chemical NameTheophylline, 8-heptylthio-2-thio-
Chemicalbook IDCB62362955
Synonym 2-Thio-8-n-heptylthiotheophylline Uric acid, 1,3-dimethyl-8-heptylthio-2-thio-
Wiswesser Line NotationT56 BM DN FNYNVJ CS7 F1 GUS H1
Beilstein Registry Number1145299
CAS Number4776-10-7
InChIKeyXWOZQLIODSDOOV-UHFFFAOYSA-N
PubChem Substance ID96984
InChIInChI=1S/C14H22N4OS2/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(20)18(3)12(10)19/h4-9H2,1-3H3,(H,15,16)
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安全信息

RTECSXH5637000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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#04434

系列性分类

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