chempirical

Etofibrate

C18H18ClNO5CAS 31637-97-5363.79 g/mol

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OClOOOON
Aryl halideEsterEther

Properties

Molecular formula
C18H18ClNO5
Molar mass
363.79 g/mol
Exact mass
363.0874 Da
Melting point
100 °C
logP
3.29Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Identifiers

CAS number
31637-97-5
SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1
InChIKey
XXRVYAFBUDSLJX-UHFFFAOYSA-N
InChI
InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3

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Names and synonyms

5 names
  • 3-Pyridinecarboxylic acid, 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]ethyl ester
  • Nicotinic acid, 2-hydroxyethyl ester 2-(p-chlorophenoxy)-2-methylpropionate (ester)
  • Lipo-merz
  • Ethofibrate
  • Tricerol

Work with Etofibrate

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

Clofibrate637-07-055 % similar Butyl nicotinate6938-06-349 % similar Hexyl nicotinate23597-82-247 % similar Clofibric acid882-09-744 % similar Fenofibrate49562-28-944 % similar Theofibrate54504-70-044 % similar Benzyl nicotinate94-44-043 % similar Fenofibric acid42017-89-042 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook