Ingredients

Betaetanidin

C18H16N2O8

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: Betaetanidin
Molecular Formula: C18H16N2O8
Molecular Weight: No data
Canonical SMILES: C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)O)C(=O)[O-])C(=O)O)C(=O)O
Isomeric SMILES: C\1[C@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)O)O)C(=O)[O-])C(=O)O)C(=O)O
InChI: InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H5,21,22,23,24,25,26,27,28)/t11-,13-/m0/s1
Oral Bioavailability: No data
Drug Likeness: 0.315
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data