Theophylline, 8,8'-tetramethylenebis(2-thio-

CAS 6466-30-4 MFCD N/A

化学结构图

6466-30-4
SMILES: Cn1c(=O)c2nc(CCCCc3nc4c(=O)n(C)c(=S)n(C)c4[nH]3)[nH]c2n(C)c1=S

化学属性

Mol. Weight446.60
Mol. FormulaC18H22N8O2S2

别名和识别编码

Chemical NameTheophylline, 8,8'-tetramethylenebis(2-thio-
Chemicalbook IDCB82158309
Synonym 8,8-Tetramethylene-bis-(2-thiotheophylline)
Wiswesser Line NotationT56 BM DN FNYNVJ F1 GUS H1 C4- CT56 BM DN FNYNVJ F1GUS H1
Beilstein Registry Number1194378
CAS Number6466-30-4
InChIKeyNSONFMCGPFMALE-UHFFFAOYSA-N
PubChem Substance ID201649
InChIInChI=1S/C18H22N8O2S2/c1-23-13-11(15(27)25(3)17(23)29)19-9(21-13)7-5-6-8-10-20-12-14(22-10)24(2)18(30)26(4)16(12)28/h5-8H2,1-4H3,(H,19,21)(H,20,22)
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安全信息

RTECSXH6747000 
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#04411

系列性分类

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