Neostigmine bromide

CAS Registry Number®

114-80-7
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CAS Name

Neostigmine bromide

Molecular Formula

C12H19N2O2.Br

Cite this Page

Neostigmine bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=114-80-7 (retrieved 2022-11-29) (CAS RN: 114-80-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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

InChIKey

InChIKey=LULNWZDBKTWDGK-UHFFFAOYSA-M

SMILES

O(C(N(C)C)=O)C1=CC([N+](C)(C)C)=CC=C1.[Br-]

Canonical SMILES

[Br-].O=C(OC1=CC=CC(=C1)[N+](C)(C)C)N(C)C

Other Names for this Substance

  • Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, bromide (1:1)
  • Neostigmine bromide
  • Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate
  • Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, bromide
  • (m-Hydroxyphenyl)trimethylammonium bromide, dimethylcarbamate