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

Identifiers

CAS number

91714-93-1

SMILES

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

InChIKey

FAPSEIVSAWZQLB-UHFFFAOYSA-N

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);

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

Similar compounds

Yellox120638-55-393 % similar Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)61618-27-773 % similar Nepafenac78281-72-850 % 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

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