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Ezetimibe Impurity 111

CAT: 1299-RM-E262111-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262111-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
204589-68-4
Synonyms
(3R,4S) -1- (4-fluorophenyl) -3- ((E) -3- (4-fluorophenyl) allyl) -4- (4-hydroxyphenyl) azetidin-2-one
Molecular Formula
C24H19F2NO2
Molecular Weight
391.42
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4S) -1- (4-fluorophenyl) -3- ((E) -3- (4-fluorophenyl) allyl) -4- (4-hydroxyphenyl) azetidin-2-one

Chemical Information

3'-Anhydro Ezetimibe
CAS Number204589-68-4
PubChem CID10644168
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one
Molecular FormulaC24H19F2NO2
Molecular Weight391.4
XLogP5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity573
SMILES
C1=CC(=CC=C1/C=C/C[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O)F
InChI
InChI=1S/C24H19F2NO2/c25-18-8-4-16(5-9-18)2-1-3-22-23(17-6-14-21(28)15-7-17)27(24(22)29)20-12-10-19(26)11-13-20/h1-2,4-15,22-23,28H,3H2/b2-1+/t22-,23-/m1/s1
InChIKey
AZSOQJYDGATDAP-NVAVVYFISA-N
Chemical Structure
2D Structure
2D structure of 3'-Anhydro Ezetimibe
CAS: 204589-68-4
CID: 10644168
Formula: C24H19F2NO2
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass391.13838517
Monoisotopic Mass391.13838517
Topological Polar Surface Area40.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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