chempirical

Neostigmine bromide

C12H19BrN2O2CAS 114-80-7303.20 g/mol

Open in Covalent MOL file
NOON+Br−
CarbamateQuaternary ammonium

Properties

Molecular formula
C12H19BrN2O2
Molar mass
303.20 g/mol
Exact mass
302.0630 Da
Melting point
167 °C (decomposes)
logP
-1.05Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
114-80-7
SMILES
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]
InChIKey
LULNWZDBKTWDGK-UHFFFAOYSA-M
InChI
InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1

Weigh it out

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Names and synonyms

19 names · show all
  • Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, bromide (1:1)
  • Carbamic acid, dimethyl-, ester with (m-hydroxyphenyl)trimethylammonium bromide
  • Eustigmin bromide
  • Kirkstigmine bromide
  • Neoeserine bromide
  • Philostigmin bromide
  • Prostigmin bromide
  • Prostigmine bromide
  • Stigmanol bromide
  • Stigmosan bromide
  • Syntostigmin bromide
  • Vagostigmine bromide
  • Syntostigmin (tablet)
  • (3-Dimethylcarbamoyloxyphenyl)trimethylammonium bromide
  • Neoesserin
  • Amostigmine
  • Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate
  • Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, bromide
  • (m-Hydroxyphenyl)trimethylammonium bromide, dimethylcarbamate

Work with Neostigmine 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

Demecarium bromide56-94-070 % similar Proserine51-60-569 % similar Pyridostigmine bromide101-26-854 % similar Norpyridostigmine51581-32-947 % similar Phenyltrimethylammonium bromide16056-11-438 % similar Rivastigmine123441-03-235 % similar 1,3-Dihydroxybenzene diacetate108-58-735 % similar Dimetilan644-64-431 % similar

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

Elsewhere

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