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Ezetimibe Impurity 89

CAT: 1299-RM-E262089-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262089-02Size:25 mg
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CAS Number
1607018-83-6
Synonyms
(3R,4R) -4- (4- (benzyloxy) phenyl) -1- (4-fluorophenyl) -3- (3- (4-fluorophenyl) -3-oxopropyl) azetidin-2-one
Molecular Formula
C31H25F2NO3
Molecular Weight
497.53
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4R) -4- (4- (benzyloxy) phenyl) -1- (4-fluorophenyl) -3- (3- (4-fluorophenyl) -3-oxopropyl) azetidin-2-one

Chemical Information

(3R,4R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CAS Number1607018-83-6
PubChem CID95474138
IUPAC Name(3R,4R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
Molecular FormulaC31H25F2NO3
Molecular Weight497.5
XLogP5.9
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity748
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CCC(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C31H25F2NO3/c32-24-10-6-22(7-11-24)29(35)19-18-28-30(34(31(28)36)26-14-12-25(33)13-15-26)23-8-16-27(17-9-23)37-20-21-4-2-1-3-5-21/h1-17,28,30H,18-20H2/t28-,30+/m1/s1
InChIKey
BVYNXBNCXPJQCW-DGPALRBDSA-N
Chemical Structure
2D Structure
2D structure of (3R,4R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CAS: 1607018-83-6
CID: 95474138
Formula: C31H25F2NO3
MW: 497.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.5
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass497.18024998
Monoisotopic Mass497.18024998
Topological Polar Surface Area46.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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