Theophylline, 8-(acetonylthio)-6-thio-

CAS 6466-01-9 MFCD01682364

化学结构图

6466-01-9
SMILES: CC(=O)CSc1nc2c([nH]1)c(=S)n(C)c(=O)n2C

化学属性

Mol. FormulaC10H12N4O2S2
Mol. Weight284.38

别名和识别编码

Chemical NameTheophylline, 8-(acetonylthio)-6-thio-
InChIKeyBBXFGEBSYQIPGF-UHFFFAOYSA-N
Synonym 8-(Acetonylthio)-6-thiotheophylline
Wiswesser Line NotationT56 BN DN FNVNYJ B1Y1&US F1 H1 IUS
Beilstein Registry Number1142670
CAS Number6466-01-9
PubChem Substance ID3034556
InChIInChI=1S/C10H12N4O2S2/c1-5(15)4-18-9-11-6-7(12-9)13(2)10(16)14(3)8(6)17/h4H2,1-3H3,(H,11,12)
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安全信息

RTECSXH3854500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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#06856

系列性分类

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