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Ezetimibe Impurity P

CAT: 1299-RM-E262016-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262016-04Size:100 mg
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CAS Number
1296129-16-2
Synonyms
(S) -3- ((2R,5R) -5- (4-fluorophenyl) -2- ((S) - ((4-fluorophenyl) amino) (4-hydroxyphenyl) methyl) -5-hydroxypentanoyl) -4-phenyloxazolidin-2-one
Molecular Formula
C33H30F2N2O5
Molecular Weight
572.6
Target Alternative Name
Ezetimibe
Product Name Synonym
(S) -3- ((2R,5R) -5- (4-fluorophenyl) -2- ((S) - ((4-fluorophenyl) amino) (4-hydroxyphenyl) methyl) -5-hydroxypentanoyl) -4-phenyloxazolidin-2-one

Chemical Information

(S)-3-((2R,5R)-5-(4-fluorophenyl)-2-((S)-(4-fluorophenylamino)(4-hydroxyphenyl)methyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CAS Number1296129-16-2
PubChem CID125317966
IUPAC Name(4S)-3-[(2R,5R)-2-[(S)-(4-fluoroanilino)-(4-hydroxyphenyl)methyl]-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
Molecular FormulaC33H30F2N2O5
Molecular Weight572.6
XLogP6.3
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity865
SMILES
C1[C@@H](N(C(=O)O1)C(=O)[C@H](CC[C@H](C2=CC=C(C=C2)F)O)[C@@H](C3=CC=C(C=C3)O)NC4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C33H30F2N2O5/c34-24-10-6-22(7-11-24)30(39)19-18-28(32(40)37-29(20-42-33(37)41)21-4-2-1-3-5-21)31(23-8-16-27(38)17-9-23)36-26-14-12-25(35)13-15-26/h1-17,28-31,36,38-39H,18-20H2/t28-,29-,30-,31-/m1/s1
InChIKey
WYMDQBFNYMAMNK-OMRVPHBLSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-((2R,5R)-5-(4-fluorophenyl)-2-((S)-(4-fluorophenylamino)(4-hydroxyphenyl)methyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CAS: 1296129-16-2
CID: 125317966
Formula: C33H30F2N2O5
MW: 572.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.6
XLogP36.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass572.21227839
Monoisotopic Mass572.21227839
Topological Polar Surface Area99.1 Ų
Heavy Atom Count42
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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