chempirical

Betahistine mesylate

C9H16N2O3SCAS 54856-23-4232.30 g/mol

Open in Covalent MOL file
HNNSOOOH
Secondary amineSulfonic acid

Properties

Molecular formula
C9H16N2O3S
Molar mass
232.30 g/mol
Exact mass
232.0882 Da
logP
0.35Crippen estimate
Polar surface area
79.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54856-23-4
SMILES
CNCCc1ccccn1.CS(=O)(=O)O
InChIKey
FUWLKZQYMWTFBA-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2.CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;1H3,(H,2,3,4)

Weigh it out

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

Names and synonyms

3 names
  • 2-Pyridineethanamine, N-methyl-, methanesulfonate (1:2)
  • 2-Pyridineethanamine, N-methyl-, dimethanesulfonate
  • Merislon

Work with Betahistine mesylate

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.

Methanesulfonic acid75-75-2Free acid Betahistine5638-76-6Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt

Similar compounds

2-Pyridineethanesulfonic acid68922-18-950 % similar 2-Pyridineethanol103-74-241 % similar 2-Propylpyridine622-39-941 % similar 2-Pyridinepropanol2859-68-940 % similar 2-Butylpyridine5058-19-540 % similar 3-(Pyridin-2-yl)propanoic acid15197-75-839 % similar 1-(2-Pyridin-2-yl-ethyl)-piperazine53345-15-639 % similar 2-Pentylpyridine2294-76-039 % similar

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

Elsewhere

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