Theophylline, 8-cyclohexylthio-2-thio-

CAS 6466-13-3 MFCD N/A

化学结构图

6466-13-3
SMILES: Cn1c(=O)c2nc(SC3CCCCC3)[nH]c2n(C)c1=S

化学属性

Mol. Weight310.47
Mol. FormulaC13H18N4OS2

别名和识别编码

Chemical NameTheophylline, 8-cyclohexylthio-2-thio-
Chemicalbook IDCB52420193
Synonym 2-Thio-8-cyclohexylthiotheophylline Uric acid, 8-cyclohexylthio-1,3-dimethyl-2-thio-
Wiswesser Line NotationT56 BM DN FNYNVJ CS- AL6TJ& F1 GUS H1
Beilstein Registry Number1144724
CAS Number6466-13-3
InChIKeyFNSPVSWZNXLSCT-UHFFFAOYSA-N
PubChem Substance ID96980
InChIInChI=1S/C13H18N4OS2/c1-16-10-9(11(18)17(2)13(16)19)14-12(15-10)20-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,14,15)
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安全信息

RTECSXH5093500 
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#04445

系列性分类

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