Neostigmine bromide

C₁₂H₁₉BrN₂O₂CAS 114-80-7303.20 g/mol

Open in Covalent MOL file

Carbamate Quaternary 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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowed95.1% of notifiers
H310 Fatal in contact with skin95.1% of notifiers
H315 Causes skin irritation97.6% of notifiers
H317 May cause an allergic skin reaction95.1% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H330 Fatal if inhaled95.1% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, P501

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

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Proserine51-60-5Salt

Similar compounds

Demecarium bromide56-94-070 % 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 3-Methylphenyl acetate122-46-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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