Chem
J-GLOBAL ID：200907070835209685   Nikkaji number：J81.984K

Denatonium

デナトニウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H29N[N+]O
Molecular formula furigana： C21-H29-N2-O
Molecular weight： 325.475
InChI： InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1
InChI key： ZFQMTVNLDNXRNQ-UHFFFAOYSA-O
SMILES： CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1
Systematic name  (8)：
  • ベンジルジエチル[(2,6-ジメチルフェニルカルバモイル)メチル]アミニウム
  • N-[2-[(2,6-ジメチルフェニル)アミノ]-2-オキソエチル]-N,N-ジエチルベンゼンメタンアミニウム
  • N-ベンジル-N,N-ジエチル-N-(2,6-キシリルカルバモイル)メチルアミニウム
  • ベンジルジエチル(2,6-キシリルカルバモイルメチル)アミニウム
  • N-ベンジル-N,N-ジエチル-N-[2-[(2,6-ジメチルフェニル)アミノ]-2-オキソエチル]アミニウム
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Other name (9)：
  • デナトニウム
  • Denatonium
  • N-Benzyl-N,N-diethyl-N-(2,6-xylylcarbamoyl)methylaminium
  • Benzyldiethyl(2,6-xylylcarbamoylmethyl)aminium
  • N-Benzyl-N,N-diethyl-N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]aminium
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Regulation number (2)：
  • (9)-2452
  • (3)-2724
Thsaurus map：
Thesaurus Map

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