Theophylline, 2,6-dithio-8-heptylthio-

CAS 6466-23-5 MFCD06466235

化学结构图

6466-23-5
SMILES: CCCCCCCSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C

化学属性

Mol. Weight342.58
Mol. FormulaC14H22N4S3

别名和识别编码

Chemical NameTheophylline, 2,6-dithio-8-heptylthio-
Chemicalbook IDCB52165845
Synonym Uric acid, 1,3-dimethyl-2,6-dithio-8-heptylthio- 2,6-Dithio-8-n-heptylthiotheophylline
Wiswesser Line NotationT56 BM DN FNYNYJ CS7 F1 GUS H1 IUS
Beilstein Registry Number1145301
CAS Number6466-23-5
InChIKeyMHJRZTULERREIP-UHFFFAOYSA-N
PubChem Substance ID3034545
InChIInChI=1S/C14H22N4S3/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

RTECSXH5140000 
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#04450

系列性分类

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