Diethylaminoethyl diphenylglycolate methobromide

C21H28BrNO3CAS 3166-62-9422.36 g/mol

N+OOHOBr−
AlcoholEsterQuaternary ammonium

Properties

Molecular formula
C21H28BrNO3
Molar mass
422.36 g/mol
Exact mass
421.1253 Da
Melting point
169–170 °C
logP
-0.04Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Identifiers

CAS number
3166-62-9
SMILES
CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
DKMVJQCQTCLYIF-UHFFFAOYSA-M
InChI
InChI=1S/C21H28NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/q+1;/p-1

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Names and synonyms

20 names · show all
  • Ethanaminium, N,N-diethyl-2-[(2-hydroxy-2,2-diphenylacetyl)oxy]-N-methyl-, bromide (1:1)
  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, benzilate
  • Ethanaminium, N,N-diethyl-2-[(hydroxydiphenylacetyl)oxy]-N-methyl-, bromide
  • Diethyl(2-hydroxyethyl)methylammonium bromide, benzilate
  • Paragone
  • ENT 26656
  • Finalin
  • Alsain
  • Apulcin
  • Final
  • Sanrine
  • Semulgin
  • Gastrimade
  • Igsain
  • neo-Aspamin
  • Noinarin
  • Benactyzine methobromide
  • Filcilin
  • Methylbenactyzium bromide
  • Spatomac

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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