Theophylline, 8-(2-cyclohexylethyl)-

CAS 5426-90-4 MFCD05426904

化学结构图

5426-90-4
SMILES: Cn1c(=O)c2nc(CCC3CCCCC3)[nH]c2n(C)c1=O

化学属性

Mol. Weight290.41
Mol. FormulaC15H22N4O2

别名和识别编码

Chemical NameTheophylline, 8-(2-cyclohexylethyl)-
Chemicalbook IDCB42356259
Synonym 8-(beta-Cyclohexylethyl)theophylline
Wiswesser Line NotationT56 BM DN FNVNVJ C2- AL6TJ& F1 H1
CAS Number5426-90-4
InChIKeyVKORYKNVGDXUOK-UHFFFAOYSA-N
PubChem Substance ID95037
InChIInChI=1S/C15H22N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,16,17)
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安全信息

RTECSXH5093400 
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#04359

系列性分类

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