Theophylline, 8-ethylthio-6-thio-

CAS 4791-35-9 MFCD N/A

化学结构图

4791-35-9
SMILES: CCSc1nc2c(=S)n(C)c(=O)n(C)c2[nH]1

化学属性

Mol. Weight256.37
Mol. FormulaC9H12N4OS2

别名和识别编码

Chemical NameTheophylline, 8-ethylthio-6-thio-
Chemicalbook IDCB32406650
Synonym 6-Thio-8-ethylthiotheophylline Uric acid, 1,3-dimethyl-8-ethylthio-6-thio-
Wiswesser Line NotationT56 BM DN FNVNYJ CS2 F1 H1 IUS
Beilstein Registry Number1126191
CAS Number4791-35-9
InChIKeyNNACXOPYOMXSRW-UHFFFAOYSA-N
PubChem Substance ID3034527
InChIInChI=1S/C9H12N4OS2/c1-4-16-8-10-5-6(11-8)12(2)9(14)13(3)7(5)15/h4H2,1-3H3,(H,10,11)
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安全信息

RTECSXH5623000 
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#04421

系列性分类

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