chempirical

Tolmetin sodium dihydrate

C15H18NNaO5CAS 64490-92-2315.30 g/mol

Open in Covalent MOL file
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

Identifiers

CAS number
64490-92-2
SMILES
Cc1ccc(C(=O)c2ccc(CC([O-])=O)n2C)cc1.O.O.[Na+]
InChIKey
AMCYRKBALHFTGR-UHFFFAOYSA-N
InChI
InChI=1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2

Weigh it out

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

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

Similar compounds

Tolmetin26171-23-360 % similar 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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook