Molecule ID: 261501

IUPAC Name: ethyl 3-aminobenzoate;methanesulfonic acid

Description: The molecule is a methanesulfonate salt obtained by reaction of tricaine with one molar equivalent of methanesulfonic acid. Used as an anaesthetic for fish. It has a role as a general anaesthetic. It contains a tricaine(1+).

SMILES: CCOC(=O)c1cccc(N)c1.CS(=O)(=O)O

SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1].[C][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: nan