Tolmetin sodium dihydrate

C15H18NNaO5CAS 64490-92-2315.30 g/mol

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OO−ONH2OH2ONa+
Carboxylic acidKetone

Properties

Molecular formula
C15H18NNaO5
Molar mass
315.30 g/mol
Exact mass
315.1083 Da
logP
0.16Crippen estimate
Polar surface area
122.3 Ų
H-bond donors / acceptors
1 / 2
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
64490-92-2
SMILES
Cc1ccc(C(=O)c2ccc(CC([O-])=O)n2C)cc1.O.O.[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
  • 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, hydrate (1:1:2)
  • 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, dihydrate

Work with Tolmetin sodium dihydrate

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.

Tolmetin26171-23-3Free acid

Similar compounds

Amtolmetin guacil87344-06-743 % similar Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)61618-27-739 % similar Yellox120638-55-339 % similar 4,4'-Dimethylbenzophenone611-97-239 % similar 4-Methylbenzophenone134-84-935 % similar Sodium phenylacetate114-70-535 % similar Bromfenac sodium91714-93-134 % similar 4-Fluoro-4'-methylbenzophenone530-46-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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