Proserine

C₁₃H₂₂N₂O₆SCAS 51-60-5334.39 g/mol

Open in Covalent MOL file

Carbamate Quaternary ammonium

Properties

Molecular formula: C₁₃H₂₂N₂O₆S
Molar mass: 334.39 g/mol
Exact mass: 334.1199 Da
Melting point: 142–145 °C
logP: 1.04Crippen estimate
Polar surface area: 96.0 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 3

Hazards

Danger

H300 Fatal if swallowed43.4% of notifiers
H301 Toxic if swallowed56.6% of notifiers
H310 Fatal in contact with skin59.6% of notifiers
H315 Causes skin irritation41.4% of notifiers
H319 Causes serious eye irritation42.4% of notifiers
H330 Fatal if inhaled59.6% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled41.4% of notifiers
H335 May cause respiratory irritation41.4% of notifiers

Aggregated from 99 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

51-60-5

SMILES

CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-]

InChIKey

OSZNNLWOYWAHSS-UHFFFAOYSA-M

InChI

InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

Weigh it out

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

Names and synonyms

37 names · show all

Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, methyl sulfate (1:1)
Ammonium, (m-hydroxyphenyl)trimethyl-, methyl sulfate, dimethylcarbamate
Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, methyl sulfate
3-(Dimethylcarbamoxy)phenyl trimethylammonium methyl sulfate
Hodostin
(m-Hydroxyphenyl)trimethylammonium methyl sulfate dimethylcarbamate
(3-Hydroxyphenyl)trimethylammonium methyl sulfate dimethylcarbamic ester
Kirkstigmine methyl sulfate
Leostigmine methyl sulfate
Neoeserine methyl sulfate
Neostigmeth
Neostigmine methosulfate
Neostigmine methyl sulfate
Normastigmin
Philostigmin methyl sulfate
Polstigmine
Proserine methyl sulfate
Stigmanol methyl sulfate
Stigmosan methyl sulfate
Vagostigmine methyl sulfate
Neostigmine mono(methyl sulfate)
Prostigmine methyl sulfate
(3-Dimethylcarbamoyloxyphenyl)trimethylammonium methyl sulfate
Eustigmin methyl sulfate
Prostigmin methyl sulfate
Synstigmine
Syntostigmin
Syntostigmin (injection)
Vagostigmin
GD 65
Stiglyn
Intrastigmina
Metastigmin
NSC 93753
3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate
Bloxiverz
Neostigmine methylsulfate

Work with Proserine

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.

Basic blue 4112270-13-2Salt Basic yellow 2854060-92-3Salt Diphemanil methyl sulfate62-97-5Salt Neostigmine bromide114-80-7Salt Phenazine methosulfate299-11-6Salt 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)2074-50-2Salt Behentrimonium methosulfate81646-13-1Salt 1-Methoxyphenazine methosulfate65162-13-2Salt Amezinium metilsulfate30578-37-1Salt Potassium monomethylsulfate562-54-9Salt Sodium methyl sulfate512-42-5Salt Tiemonium methosulfate6504-57-0Salt

Similar compounds

Demecarium bromide56-94-050 % similar Norpyridostigmine51581-32-939 % similar Pyridostigmine bromide101-26-838 % similar 1,3-Dihydroxybenzene diacetate108-58-731 % similar Rivastigmine123441-03-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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