Molecule ID: 10126593

IUPAC Name: 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid

Description: The molecule is an oxalate salt obtained by reaction of 5-nonyloxytryptamine with one equivalent of oxalic acid. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold). It has a role as a serotonergic agonist. It contains a 5-nonyloxytryptaminium(1+).

SMILES: CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.O=C(O)C(=O)O

SELFIES: [C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][NH1][C][=C][Branch1][Ring2][C][C][N][C][Ring1][Branch2][=C][Ring1][N].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C19H30N2O.C2H2O4/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19;3-1(4)2(5)6/h9-10,14-15,21H,2-8,11-13,20H2,1H3;(H,3,4)(H,5,6)

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: nan