Theophylline, 8-pentylthio-2-thio-

CAS 4869-70-9 MFCD04869709

化学结构图

4869-70-9
SMILES: CCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight298.46
Mol. FormulaC12H18N4OS2

别名和识别编码

Chemical NameTheophylline, 8-pentylthio-2-thio-
Chemicalbook IDCB02276430
Synonym Uric acid, 1,3-dimethyl-8-pentylthio-2-thio- 2-Thio-8-n-pentylthiotheophylline
Wiswesser Line NotationT56 BM DN FNYNVJ CS5 F1 GUS H1
Beilstein Registry Number1139272
CAS Number4869-70-9
InChIKeyAYOOHXCZCYWXBB-UHFFFAOYSA-N
PubChem Substance ID96978
InChIInChI=1S/C12H18N4OS2/c1-4-5-6-7-19-11-13-8-9(14-11)15(2)12(18)16(3)10(8)17/h4-7H2,1-3H3,(H,13,14)
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安全信息

RTECSXH6486500
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#04432

系列性分类


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