Molecule ID: 443148

IUPAC Name: (2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of SN-38 carboxylic acid, obtained from the deprotonation of the carboxy group. It is the major microspecies at pH 7.3. It is a conjugate base of a SN-38 carboxylic acid.

SMILES: CCc1c2c(nc3ccc([O-])cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2

SELFIES: [C][C][C][=C][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][Branch1][=C][C@@][Branch1][C][O][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][=C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Ring1][S][C][Ring2][Ring1][O]

InChI: InChI=1S/C22H22N2O6/c1-3-12-13-7-11(26)5-6-17(13)23-19-14(12)9-24-18(19)8-16(15(10-25)20(24)27)22(30,4-2)21(28)29/h5-8,25-26,30H,3-4,9-10H2,1-2H3,(H,28,29)/p-1/t22-/m0/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: 1.8