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Ezetimibe Impurity 93

CAT: 1596-AR-E11001-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-E11001-05Size:150
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CAS Number
1478663-99-8
Synonyms
(3R,4R) -1- (4-fluorophenyl) -3- (3- (4-fluorophenyl) -3-oxopropyl) -4- (4-hydroxyphenyl) azetidin-2-one
Molecular Formula
C24H19F2NO3
Molecular Weight
407.42
API Name
Ezetimibe

Chemical Information

Rey5S9ZV58
CAS Number1478663-99-8
PubChem CID73212061
IUPAC Name(3R,4R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one
Molecular FormulaC24H19F2NO3
Molecular Weight407.4
XLogP4.1
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity606
SMILES
C1=CC(=CC=C1[C@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CCC(=O)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C24H19F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21,23,28H,13-14H2/t21-,23+/m1/s1
InChIKey
UEPZDXMEEKCJSP-GGAORHGYSA-N
Chemical Structure
2D Structure
2D structure of Rey5S9ZV58
CAS: 1478663-99-8
CID: 73212061
Formula: C24H19F2NO3
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass407.13329979
Monoisotopic Mass407.13329979
Topological Polar Surface Area57.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity606
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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