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Ezetimibe Impurity 59

CAT: 1299-RM-E262059-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262059-03Size:50 mg
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CAS Number
935263-11-9
Synonyms
(4S) -3- ((5S) -5- (4-fluorophenyl) -1,5-dihydroxypentyl) -4-phenyloxazolidin-2-one
Molecular Formula
C20H22FNO4
Molecular Weight
359.39
Target Alternative Name
Ezetimibe
Product Name Synonym
(4S) -3- ((5S) -5- (4-fluorophenyl) -1,5-dihydroxypentyl) -4-phenyloxazolidin-2-one

Chemical Information

(4S)-3-((5S)-5-(4-fluorophenyl)-1,5-dihydroxypentyl)-4-phenyloxazolidin-2-one
CAS Number935263-11-9
PubChem CID57609060
IUPAC Name(4S)-3-[(5S)-5-(4-fluorophenyl)-1,5-dihydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one
Molecular FormulaC20H22FNO4
Molecular Weight359.4
XLogP3.5
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity449
SMILES
C1[C@@H](N(C(=O)O1)C(CCC[C@@H](C2=CC=C(C=C2)F)O)O)C3=CC=CC=C3
InChI
InChI=1S/C20H22FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-19,23-24H,4,7-8,13H2/t17-,18+,19?/m1/s1
InChIKey
CEHMCYSNMYPBBN-YTYFACEESA-N
Chemical Structure
2D Structure
2D structure of (4S)-3-((5S)-5-(4-fluorophenyl)-1,5-dihydroxypentyl)-4-phenyloxazolidin-2-one
CAS: 935263-11-9
CID: 57609060
Formula: C20H22FNO4
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass359.15328635
Monoisotopic Mass359.15328635
Topological Polar Surface Area70 Ų
Heavy Atom Count26
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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