Fenoprofen calcium salt dihydrate

C₃₀H₃₀CaO₈CAS 53746-45-5558.64 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₃₀H₃₀CaO₈
Molar mass: 558.64 g/mol
Exact mass: 558.1567 Da
logP: 2.46Crippen estimate
Polar surface area: 78.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Identifiers

CAS number

53746-45-5

SMILES

CC(C([O-])=O)c1cccc(Oc2ccccc2)c1.CC(C([O-])=O)c1cccc(Oc2ccccc2)c1.O.O.[Ca+2]

InChIKey

TUWXDZBTJRWTMJ-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O3.Ca.H2O/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;/h2-11H,1H3,(H,16,17);;1H2

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

Names and synonyms

2 names

Benzeneacetic acid, α-methyl-3-phenoxy-, calcium salt, hydrate (2:1:2)
Benzeneacetic acid, α-methyl-3-phenoxy-, calcium salt, dihydrate

Work with Fenoprofen calcium salt 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

Fenoprofen31879-05-761 % similar Flurbiprofen sodium56767-76-143 % similar Naproxen sodium26159-34-242 % similar (αS)-α-Hydroxy-3-phenoxybenzeneacetonitrile61826-76-440 % similar 3-Phenoxybenzoic acid3739-38-640 % similar Calcium lactate pentahydrate5743-47-539 % similar Fenpropathrin39515-41-839 % similar Fenpropathrin64257-84-739 % similar

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

Elsewhere

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