Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-

CAS 6493-46-5 MFCD06493465

化学结构图

6493-46-5
SMILES: Cn1c(=S)c2nc(SCCN3CCCCC3)[nH]c2n(C)c1=O

化学属性

Mol. Weight339.52
Mol. FormulaC14H21N5OS2

别名和识别编码

Chemical NameTheophylline, 8-(2-(piperidinoethyl)thio)-6-thio-
Chemicalbook IDCB02321545
Synonym Uric acid, 1,3-dimethyl-8-(2-(piperidinoethyl)thio)-6-thio- 6-Thio-8-(beta-N-piperidylethyl)thiotheophylline
Wiswesser Line NotationT56 BM DN FNVNYJ F1 H1 IUS CS2- AT6NTJ
Beilstein Registry Number1156493
CAS Number6493-46-5
InChIKeyKRNRCKVBLPHZPG-UHFFFAOYSA-N
PubChem Substance ID3034549
InChIInChI=1S/C14H21N5OS2/c1-17-11-10(12(21)18(2)14(17)20)15-13(16-11)22-9-8-19-6-4-3-5-7-19/h3-9H2,1-2H3,(H,15,16)
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安全信息

RTECSXH6487300 
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#04457

系列性分类

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