Molecule ID: 23693301

IUPAC Name: sodium;2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate

Description: The molecule is the sodium salt of bromfenac. Note that 'bromfenac sodium' commonly refers to the sesquihydrate (120638-55-3); this is the anhydrous form. It has a role as a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It contains a bromfenac(1-).

SMILES: Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.[Na+]

SELFIES: [N][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1].[Na+1]

InChI: InChI=1S/C15H12BrNO3.Na/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;/h1-7H,8,17H2,(H,18,19);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 83.2 Ų
- LogP: nan