Pyridostigmine bromide

C₉H₁₃BrN₂O₂CAS 101-26-8261.12 g/mol

Open in Covalent MOL file

Carbamate

Properties

Molecular formula: C₉H₁₃BrN₂O₂
Molar mass: 261.12 g/mol
Exact mass: 260.0160 Da
Melting point: 152–154 °C
logP: -2.42Crippen estimate
Polar surface area: 33.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed72.6% of notifiers
H301 Toxic if swallowed27.4% of notifiers
H310 Fatal in contact with skin66.1% of notifiers
H317 May cause an allergic skin reaction66.1% of notifiers
H330 Fatal if inhaled67.7% of notifiers
H331 Toxic if inhaled27.4% of notifiers

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101-26-8

SMILES

CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-]

InChIKey

VNYBTNPBYXSMOO-UHFFFAOYSA-M

InChI

InChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

18 names · show all

Pyridinium, 3-[[(dimethylamino)carbonyl]oxy]-1-methyl-, bromide (1:1)
Pyridinium, 3-hydroxy-1-methyl-, bromide, dimethylcarbamate
Pyridinium, 3-[[(dimethylamino)carbonyl]oxy]-1-methyl-, bromide
3-Hydroxy-1-methylpyridinium bromide, dimethylcarbamate
Carbamic acid, dimethyl-, ester with 3-hydroxy-1-methylpyridinium bromide
Ro 1-5130
Kalymin
Mestinon
Mestinon bromide
1-Methyl-3-hydroxypyridinium bromide dimethylcarbamate
3-(Dimethylcarbamyloxy)-1-methylpyridinium bromide
Piridostigmin bromide
Kalimin
Piridostigmin
3-(Dimethylcarbamoyloxy)-1-methylpyridinium bromide
Regonol
NSC 679759
3-[[(Dimethylamino)carbonyl]oxy]-1-methylpyridinium bromide

Work with Pyridostigmine 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 bromide114-80-754 % similar Norpyridostigmine51581-32-948 % similar Proserine51-60-538 % similar Trigonelline535-83-138 % similar Demecarium bromide56-94-038 % similar Trigonelline hydrochloride6138-41-635 % similar 1-Methylnicotinamide chloride1005-24-933 % similar Dimetilan644-64-432 % similar

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

Same formula

Bromacil314-40-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook