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C30H28Br2N2Na2O9CAS 120638-55-3766.35 g/mol

Open in Covalent MOL file
NH2O−OOBrNH2O−OOBrH2OH2OH2ONa+Na+
Aryl halideCarboxylic acidKetonePrimary amine

Properties

Molecular formula
C30H28Br2N2Na2O9
Molar mass
766.35 g/mol
Exact mass
763.9957 Da
logP
1.68Crippen estimate
Polar surface area
111.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
120638-55-3
SMILES
Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1.Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1.O.O.O.[Na+].[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.

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Names and synonyms

2 names
  • Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, sodium salt, hydrate (2:2:3)
  • Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt, hydrate (2:3)

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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.

Bromfenac sodium91714-93-1Salt

Similar compounds

Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)61618-27-780 % similar Nepafenac78281-72-847 % similar 7-(4-Bromobenzoyl)-1,3-dihydro-2H-indol-2-one91713-91-646 % similar 2-Amino-4'-bromobenzophenone1140-17-644 % similar Sodium α-naphthaleneacetate61-31-443 % similar Tolmetin sodium dihydrate64490-92-239 % similar Diclofenac sodium15307-79-638 % similar 4,4′-Dibromobenzophenone3988-03-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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