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Ezetimibe Impurity 13

CAT: 1596-AR-E11018-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E11018-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
204589-82-2
Synonyms
3- ((2S,3R) -2- (4- (Benzyloxy) phenyl) -1- (4-fluorophenyl) -4-oxoazetidin-3-yl) propanoic acid
Molecular Formula
C25H22FNO4
Molecular Weight
419.46
API Name
Ezetimibe

Chemical Information

3-((2S,3R)-2-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoic acid
CAS Number204589-82-2
PubChem CID10669746
IUPAC Name3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoic acid
Molecular FormulaC25H22FNO4
Molecular Weight419.4
XLogP4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity607
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)O
InChI
InChI=1S/C25H22FNO4/c26-19-8-10-20(11-9-19)27-24(22(25(27)30)14-15-23(28)29)18-6-12-21(13-7-18)31-16-17-4-2-1-3-5-17/h1-13,22,24H,14-16H2,(H,28,29)/t22-,24-/m1/s1
InChIKey
YOJPXOLPAHAPAQ-ISKFKSNPSA-N
Chemical Structure
2D Structure
2D structure of 3-((2S,3R)-2-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoic acid
CAS: 204589-82-2
CID: 10669746
Formula: C25H22FNO4
MW: 419.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass419.15328635
Monoisotopic Mass419.15328635
Topological Polar Surface Area66.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity607
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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