Theophylline, 2,6-dithio-8-methylthio-

CAS 6466-20-2 MFCD N/A

化学结构图

6466-20-2
SMILES: CSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C

化学属性

Mol. Weight258.40
Mol. FormulaC8H10N4S3

别名和识别编码

Chemical NameTheophylline, 2,6-dithio-8-methylthio-
Chemicalbook IDCB42239725
Synonym Uric acid, 1,3-dimethyl-2,6-dithio-8-methylthio- 2,6-Dithio-8-methyltheophylline
Wiswesser Line NotationT56 BM DN FNYNYJ CS1 F1 GUS H1 IUS
Beilstein Registry Number1125485
CAS Number6466-20-2
InChIKeyOSNIQHVTMKAFJZ-UHFFFAOYSA-N
PubChem Substance ID3034526
InChIInChI=1S/C8H10N4S3/c1-11-5-4(9-7(10-5)15-3)6(13)12(2)8(11)14/h1-3H3,(H,9,10)
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安全信息

RTECSXH5155000 
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#04442

系列性分类

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