Theophylline, 8-octylthio-2-thio-

CAS 4951-42-2 MFCD N/A

化学结构图

4951-42-2
SMILES: CCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight340.55
Mol. FormulaC15H24N4OS2

别名和识别编码

Chemical NameTheophylline, 8-octylthio-2-thio-
Chemicalbook IDCB72202632
Synonym 2-Thio-8-n-octylthiotheophylline
Wiswesser Line NotationT56 BM DN FNYNVJ CS8 F1 GUS H1
Beilstein Registry Number1147669
CAS Number4951-42-2
InChIKeyWUJXDMHEUKWCEC-UHFFFAOYSA-N
PubChem Substance ID96987
InChIInChI=1S/C15H24N4OS2/c1-4-5-6-7-8-9-10-22-14-16-11-12(17-14)18(2)15(21)19(3)13(11)20/h4-10H2,1-3H3,(H,16,17)
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安全信息

RTECSXH6380000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 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#04435

系列性分类

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