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Pemafibrate

CAT: 1596-AR-P30523-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P30523-01Size:10 Units
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CAS Number
848259-27-8
Synonyms
(R) -2- (3- ((benzo[d]oxazol-2-yl (3- (4-methoxyphenoxy) propyl) amino) methyl) phenoxy) butanoic acid
Molecular Formula
C28H30N2O6
Molecular Weight
490.56
API Name
Pemafibrate

Chemical Information

Pemafibrate

Pemafibrate is a member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-amine in which the amino hydrogens are replaced by 3-[(1R)-1-carboxypropoxy]benzyl and 3-(4-methoxyphenoxy)propyl groups. It is a selective peroxisome proliferator-activated receptor (PPAR)-alpha agonist that is used for the treatment of hyperlipidaemia. It has a role as an antilipemic drug, a hepatoprotective agent and a PPARalpha agonist. It is a monocarboxylic acid, an aromatic amine, a tertiary amino compound, a member of 1,3-benzoxazoles and a member of methoxybenzenes.

CAS Number848259-27-8
PubChem CID11526038
IUPAC Name(2R)-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
Molecular FormulaC28H30N2O6
Molecular Weight490.5
XLogP6.2
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity658
SMILES
CC[C@H](C(=O)O)OC1=CC=CC(=C1)CN(CCCOC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
InChIKey
ZHKNLJLMDFQVHJ-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of Pemafibrate
CAS: 848259-27-8
CID: 11526038
Formula: C28H30N2O6
MW: 490.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.5
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass490.21038668
Monoisotopic Mass490.21038668
Topological Polar Surface Area94.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity658
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4427-5.1Pemafibrate

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