Bromfenac sodium

C₁₅H₁₁BrNNaO₃CAS 91714-93-1356.15 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ketone Primary amine

Properties

Molecular formula: C₁₅H₁₁BrNNaO₃
Molar mass: 356.15 g/mol
Exact mass: 354.9820 Da
Melting point: 285 °C
logP: 2.51Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H400 Very toxic to aquatic life97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

91714-93-1

SMILES

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

InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, sodium salt (1:1)
Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt
AHR 10282B
Bronuck

Work with Bromfenac sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Yellox120638-55-3Salt

Similar compounds

Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)61618-27-773 % similar Nepafenac78281-72-850 % similar 7-(4-Bromobenzoyl)-1,3-dihydro-2H-indol-2-one91713-91-649 % similar 2-Amino-4'-bromobenzophenone1140-17-647 % similar Sodium α-naphthaleneacetate61-31-443 % similar Diclofenac sodium15307-79-640 % similar 4,4′-Dibromobenzophenone3988-03-239 % similar 4-Bromobenzophenone90-90-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook