chempirical

Ethyl eicosapentaenoate

C22H34O2CAS 86227-47-6330.51 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C22H34O2
Molar mass
330.51 g/mol
Exact mass
330.2559 Da
logP
6.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
14

Identifiers

CAS number
86227-47-6
SMILES
CC/C=CC/C=CC/C=CC/C=CC/C=CCCCC(=O)OCC
InChIKey
SSQPWTVBQMWLSZ-AAQCHOMXSA-N
InChI
InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-

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

Names and synonyms

17 names · show all
  • 5,8,11,14,17-Eicosapentaenoic acid, ethyl ester, (5Z,8Z,11Z,14Z,17Z)-
  • 5,8,11,14,17-Eicosapentaenoic acid, ethyl ester, (all-Z)-
  • (All-Z)-5,8,11,14,17-Eicosapentaenoic acid ethyl ester
  • Epadel
  • Timnodonic acid ethyl ester
  • cis-Eicosapentaenoic acid ethyl ester
  • Ethyl all-cis-5,8,11,14,17-eicosapentaenoate
  • Icosapent ethyl
  • AMR 101
  • Epadel S 300
  • Vascepa
  • Incromega EPA
  • Ethyl icosapentate
  • (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Eicosapentaenoic acid ethyl ester
  • Ethyl all-Z-5,8,11,14,17-eicosapentanenoate
  • C20:5 n-3 Ethyl ester
  • Ethyl (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoate

Work with Ethyl eicosapentaenoate

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

Ethyl linolenate1191-41-991 % similar Ethyl 4,7,10,13,16,19-docosahexaenoate84494-72-482 % similar Ethyl arachidonate1808-26-077 % similar Ethyl linoleate544-35-470 % similar Methyl linolenate301-00-863 % similar Ethyl oleate111-62-662 % similar Ethyl (E)-4-decenoate76649-16-659 % similar Diethyl glutarate818-38-258 % similar

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

Elsewhere

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