Chem
J-GLOBAL ID：200907097562489090   Nikkaji number：J193.052D

Benzethonium

ベンゼトニウム
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： C27H42[N+]O2
Molecular formula furigana： C27-H42-N-O2
Molecular weight： 412.637
InChI： InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1
InChI key： SIYLLGKDQZGJHK-UHFFFAOYSA-N
SMILES： CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
Systematic name  (8)：
  • N,N-ジメチル-N-[2-[2-[[4-(1,1,3,3-テトラメチルブチル)フェニル]オキシ]エトキシ]エチル]ベンゼンメタンアミニウム
  • N,N-ジメチル-N-[2-[2-[4-(1,1,3,3-テトラメチルブチル)フェノキシ]エトキシ]エチル]ベンゼンメタンアミニウム
  • N-[2-[2-[4-(1,1,3,3-テトラメチルブチル)フェノキシ]エトキシ]エチル]-N,N-ジメチル-N-ベンジルアミニウム
  • [2-[2-(4-tert-オクチルフェノキシ)エトキシ]エチル]ジメチルベンジルアミニウム
  • ベンジルジメチル[2-[2-[4-(1,1,3,3-テトラメチルブチル)フェノキシ]エトキシ]エチル]アミニウム
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Other name (6)：
  • N-[2-[2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy]ethyl]-N,N-dimethyl-N-benzylaminium
  • ベンゼトニウム
  • Benzethonium
  • [2-[2-(4-tert-Octylphenoxy)ethoxy]ethyl]dimethylbenzylaminium
  • Benzyldimethyl[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]aminium
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Regulation number (1)：
  • (3)-2782
Application (6)：
integumentary preparation ,  oral mucosal injury preparations ,  antimicrobial drug ,  germicide ,  dental drug ,  medicated soap
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