1-Methylquinolin-4(1H)-One 1-甲基喹啉-4(1H)-酮

CAS 83-54-5 MFCD00083545

化学结构图

83-54-5
SMILES: CN1CCC(=O)C2CCCCC21

化学属性

Mol. FormulaC10H9NO
Mol. Weight159.18

别名和识别编码

Synonym Echinopsine {LY} Echinopsine {} {LY} Echinopsine {} {} {LY} Echinopsine {} {} {} {LY} Echinopsine {} {} {} {} {LY} Echinopsine {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Echinopsine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Wiswesser Line NotationT66 BN EVJ B1
Chemical Name1-Methylquinolin-4(1H)-One
CAS Number83-54-5
Beilstein Registry Number0122247
PubChem Substance ID6748
InChIInChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
LabNetwork Molecule IDLN00249932
Chemical Name Translation1-甲基喹啉-4(1H)-酮
Canonical SMILESO=C1C=CN(C)C2=C1C=CC=C2
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; ketone; 1fragment

相关文献及参考

  • Short: III/35C2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 2: Heterocycles Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C2 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41057-0 ISBN: 978-3-540-41057-7 Internet Resource: DOI:10.1007/b89252 RefComment: VIII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum.

安全信息

RTECSVC8618000
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - changes in motor activity (specific assay)
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   PHTXA6 Pharmacology and Toxicology.  English translation of FATOAO.  (New
   York, NY)  V.20-22, 1957-59.  Discontinued.  Volume(issue)/page/year:
   20,236,1957

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - rigidity (including catalepsy)
   Behavioral - irritability
REFERENCE :
   PHTXA6 Pharmacology and Toxicology.  English translation of FATOAO.  (New
   York, NY)  V.20-22, 1957-59.  Discontinued.  Volume(issue)/page/year:
   20,236,1957

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 240 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - irritability
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   PHTXA6 Pharmacology and Toxicology.  English translation of FATOAO.  (New
   York, NY)  V.20-22, 1957-59.  Discontinued.  Volume(issue)/page/year:
   20,236,1957

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals

Storage condition

系列性分类


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