chempirical

Demecarium bromide

C32H52Br2N4O4CAS 56-94-0716.60 g/mol

Open in Covalent MOL file
NNOON+OON+Br−Br−
CarbamateQuaternary ammonium

Properties

Molecular formula
C32H52Br2N4O4
Molar mass
716.60 g/mol
Exact mass
714.2355 Da
Melting point
162–167 °C (decomposes)
logP
0.77Crippen estimate
Polar surface area
59.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
15

Identifiers

CAS number
56-94-0
SMILES
CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-].[Br-]
InChIKey
YHKBUDZECQDYBR-UHFFFAOYSA-L
InChI
InChI=1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • Benzenaminium, 3,3′-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-, bromide (1:2)
  • Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, decamethylenebis[methylcarbamate] (2:1)
  • (m-Hydroxyphenyl)trimethylammonium bromide decamethylenebis[methylcarbamate]
  • Benzenaminium, 3,3′-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-, dibromide
  • BC 48
  • N,N′-Bis[3-trimethylammoniumphenoxycarbonyl]-N,N′-dimethyldecamethylenediamine dibromide
  • Decamethylenebis(m-dimethylaminophenyl-N-methylcarbamate) dimethobromide
  • Decamethylenebis[N-methylcarbamic acid m-dimethylaminophenyl ester] bromomethylate
  • Demekastigmine bromide
  • Humorsol
  • Tosmilen
  • Tosmilene
  • Demekarium bromide
  • Frumtosnil
  • Tonilen
  • Tosmicil
  • Visumatic
  • Visumiotic

Work with Demecarium bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Neostigmine bromide114-80-770 % similar Proserine51-60-550 % similar Rivastigmine123441-03-243 % similar Pyridostigmine bromide101-26-838 % similar Rivastigmine tartrate129101-54-837 % similar Phenyltrimethylammonium bromide16056-11-433 % similar Norpyridostigmine51581-32-931 % similar 1,3-Dihydroxybenzene diacetate108-58-731 % similar

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

Elsewhere

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