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Ezetimibe Impurity K

CAT: 1299-RM-E262011-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262011-02Size:25 mg
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CAS Number
1700622-07-6
Synonyms
(3R,4S) -1- (4-fluorophenyl) -3- ((S) -3-hydroxy-3- (p-tolyl) propyl) -4- (4-hydroxyphenyl) azetidin-2-one
Molecular Formula
C25H24FNO3
Molecular Weight
405.46
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4S) -1- (4-fluorophenyl) -3- ((S) -3-hydroxy-3- (p-tolyl) propyl) -4- (4-hydroxyphenyl) azetidin-2-one

Chemical Information

(3R,4S)-1-(4-Fluorophenyl)-3-((S)-3-hydroxy-3-(P-tolyl)propyl)-4-(4-hydroxyphenyl)azetidin-2-one
CAS Number1700622-07-6
PubChem CID90213669
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-hydroxy-3-(4-methylphenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one
Molecular FormulaC25H24FNO3
Molecular Weight405.5
XLogP4.2
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity563
SMILES
CC1=CC=C(C=C1)[C@H](CC[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C25H24FNO3/c1-16-2-4-17(5-3-16)23(29)15-14-22-24(18-6-12-21(28)13-7-18)27(25(22)30)20-10-8-19(26)9-11-20/h2-13,22-24,28-29H,14-15H2,1H3/t22-,23+,24-/m1/s1
InChIKey
ULDWXJWBGUZASZ-TZRRMPRUSA-N
Chemical Structure
2D Structure
2D structure of (3R,4S)-1-(4-Fluorophenyl)-3-((S)-3-hydroxy-3-(P-tolyl)propyl)-4-(4-hydroxyphenyl)azetidin-2-one
CAS: 1700622-07-6
CID: 90213669
Formula: C25H24FNO3
MW: 405.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass405.17402179
Monoisotopic Mass405.17402179
Topological Polar Surface Area60.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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