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Ezetimibe Impurity 50

CAT: 1299-RM-E262050-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262050-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2191318-99-5
Synonyms
(3R,4S) -1- (2-fluorophenyl) -3- ((S) -3- (4-fluorophenyl) -3-hydroxypropyl) -4- (4-hydroxyphenyl) azetidin-2-one
Molecular Formula
C24H21F2NO3
Molecular Weight
409.43
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4S) -1- (2-fluorophenyl) -3- ((S) -3- (4-fluorophenyl) -3-hydroxypropyl) -4- (4-hydroxyphenyl) azetidin-2-one

Chemical Information

Ezetimibe Impurity 3
CAS Number2191318-99-5
PubChem CID129011616
IUPAC Name(3R,4S)-1-(2-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
Molecular FormulaC24H21F2NO3
Molecular Weight409.4
XLogP4
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity575
SMILES
C1=CC=C(C(=C1)N2[C@@H]([C@H](C2=O)CC[C@@H](C3=CC=C(C=C3)F)O)C4=CC=C(C=C4)O)F
InChI
InChI=1S/C24H21F2NO3/c25-17-9-5-15(6-10-17)22(29)14-13-19-23(16-7-11-18(28)12-8-16)27(24(19)30)21-4-2-1-3-20(21)26/h1-12,19,22-23,28-29H,13-14H2/t19-,22+,23-/m1/s1
InChIKey
VGJFIJYSSAPUPG-WTIAFYNJSA-N
Chemical Structure
2D Structure
2D structure of Ezetimibe Impurity 3
CAS: 2191318-99-5
CID: 129011616
Formula: C24H21F2NO3
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass409.14894986
Monoisotopic Mass409.14894986
Topological Polar Surface Area60.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity575
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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