Molecule ID: 11957573

IUPAC Name: 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide

Description: The molecule is a hydrobromide salt obtained by reaction of imetit with two equivalents of hydrobromic acid. An extremely potent, high affinity agonist at H3 and H4 receptors (Ki values are 0.3 and 2.7 nM respectively). Induces shape change in eosinophils with an EC50 of 25 nM. Centrally active following systemic administration. It has a role as a H4-receptor agonist and a H3-receptor agonist. It contains an imetit(2+).

SMILES: Br.Br.N=C(N)SCCc1cnc[nH]1

SELFIES: [Br].[Br].[N][=C][Branch1][C][N][S][C][C][C][=C][N][=C][NH1][Ring1][Branch1]

InChI: InChI=1S/C6H10N4S.2BrH/c7-6(8)11-2-1-5-3-9-4-10-5;;/h3-4H,1-2H2,(H3,7,8)(H,9,10);2*1H

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: nan