Analyte Name

Bromfenac Sodium Sesquihydrate

CAS Number

120638-55-3

Molecular Formula

2C15H11BrNO3.2Na.3H2O

Molecular Weight

766.34

Accurate Mass

763.9957

SMILES

O.O.O.[Na+].[Na+].Nc1c(CC(=O)[O-])cccc1C(=O)c2ccc(Br)cc2.Nc3c(CC(=O)[O-])cccc3C(=O)c4ccc(Br)cc4

InChI

InChI=1S/2C15H12BrNO3.2Na.3H2O/c2*16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;;;;/h2*1-7H,8,17H2,(H,18,19);;;3*1H2/q;;2*+1;;;/p-2

IUPAC

disodium;2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate;trihydrate

Alternate CAS Number

Anhydrous free acid: 91714-94-2

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

JAPAN

Product Type

API

Product Format

Neat

API Family

Bromfenac Sodium Sesquihydrate