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Ezetimibe Impurity 39

CAT: 1299-RM-E262039-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262039-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
204589-58-2
Synonyms
(3R,4S) -1- (4-fluorophenyl) -3- (3- (4-fluorophenyl) propyl) -4- (4-hydroxyphenyl) azetidin-2-one
Molecular Formula
C24H21F2NO2
Molecular Weight
393.43
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4S) -1- (4-fluorophenyl) -3- (3- (4-fluorophenyl) propyl) -4- (4-hydroxyphenyl) azetidin-2-one

Chemical Information

3-Dehydroxy Ezetimibe
CAS Number204589-58-2
PubChem CID10408252
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one
Molecular FormulaC24H21F2NO2
Molecular Weight393.4
XLogP5.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity535
SMILES
C1=CC(=CC=C1CCC[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O)F
InChI
InChI=1S/C24H21F2NO2/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/h4-15,22-23,28H,1-3H2/t22-,23-/m1/s1
InChIKey
GPGSMLXOBVGHQH-DHIUTWEWSA-N
Chemical Structure
2D Structure
2D structure of 3-Dehydroxy Ezetimibe
CAS: 204589-58-2
CID: 10408252
Formula: C24H21F2NO2
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass393.15403524
Monoisotopic Mass393.15403524
Topological Polar Surface Area40.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity535
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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AR-E10931-01Ezetimibe Impurity 58
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