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Eicosapentaenoic Acid Ethyl Ester

CAT: 0572-TRC-E477805-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E477805-50MGSize:50 mg
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CAS Number
86227-47-6
Synonyms
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Eicosapentaenoic acid ethyl ester; 5,8,11,14,17-Eicosapentaenoic acid, ethyl ester, (all-Z)-; (all-Z)-5,8,11,14,17-Eicosapentaenoic acid ethyl ester; AMR 101; Epadel; Epadel S 300; Ethyl all-cis-5,8,11,14,17-eicosapentaenoate; Ethyl eicosapentaenoate; Ethyl eicosapentanoate; Icosapent ethyl; Incromega EPA; Timnodonic acid ethyl ester; Vascepa; cis-Eicosapentaenoic acid ethyl ester
Hazard Statement
No Data Available
Smiles
CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Molecular Formula
C22 H34 O2
Molecular Weight
330.5
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-
Additionnal Information
IUPAC name: ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Icosapent Ethyl

Ethyl (5Z,8Z,11Z,14Z,17Z)-icosapentaenoate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoic acid with the hydroxy group of ethanol. It has a role as an antidepressant, an antipsychotic agent, an anticholesteremic drug, a prodrug and a marine metabolite. It is a long-chain fatty acid ethyl ester and a polyunsaturated fatty ester. It is functionally related to an all-cis-5,8,11,14,17-icosapentaenoic acid.

CAS Number86227-47-6
PubChem CID9831415
IUPAC Nameethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Molecular FormulaC22H34O2
Molecular Weight330.5
XLogP6.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count24
Formal Charge0
Complexity425
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC
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-
InChIKey
SSQPWTVBQMWLSZ-AAQCHOMXSA-N
Chemical Structure
2D Structure
2D structure of Icosapent Ethyl
CAS: 86227-47-6
CID: 9831415
Formula: C22H34O2
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass330.255880323
Monoisotopic Mass330.255880323
Topological Polar Surface Area26.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity425
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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011053Eicosapentaenoic Acid Ethyl Ester
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