Theophylline, 8-butylthio-6-thio-

CAS 6493-29-4 MFCD06493294

化学结构图

6493-29-4
SMILES: CCCCSc1nc2c([nH]1)c(=S)n(C)c(=O)n2C

化学属性

Mol. Weight284.43
Mol. FormulaC11H16N4OS2

别名和识别编码

Chemical NameTheophylline, 8-butylthio-6-thio-
Chemicalbook IDCB72141481
Synonym 6-Thio-8-n-butylthiotheophylline Uric acid, 8-butylthio-1,3-dimethyl-6-thio-
Wiswesser Line NotationT56 BM DN FNVNYJ CS4 F1 H1 IUS
Beilstein Registry Number1219960
CAS Number6493-29-4
InChIKeyJTKHAEGWWHAFTM-UHFFFAOYSA-N
PubChem Substance ID3034531
InChIInChI=1S/C11H16N4OS2/c1-4-5-6-18-10-12-7-8(13-10)14(2)11(16)15(3)9(7)17/h4-6H2,1-3H3,(H,12,13)
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安全信息

RTECSXH5058000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 18 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#04424

系列性分类


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