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Ezetimibe Impurity 43

CAT: 1299-RM-E262043-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262043-01Size:10 mg
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CAS Number
1374250-07-3
Synonyms
4- ((1S,2R, E) -5- (4-fluorophenyl) -1- ((4-fluorophenyl) amino) -2- (hydroxymethyl) pent-4-en-1-yl) phenol
Molecular Formula
C24H23F2NO2
Molecular Weight
395.44
Target Alternative Name
Ezetimibe
Product Name Synonym
4- ((1S,2R, E) -5- (4-fluorophenyl) -1- ((4-fluorophenyl) amino) -2- (hydroxymethyl) pent-4-en-1-yl) phenol

Chemical Information

3'-Anhydro Ezetimibe Alcohol Impurity
CAS Number1374250-07-3
PubChem CID58827438
IUPAC Name4-[(E,1S,2R)-1-(4-fluoroanilino)-5-(4-fluorophenyl)-2-(hydroxymethyl)pent-4-enyl]phenol
Molecular FormulaC24H23F2NO2
Molecular Weight395.4
XLogP6
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity479
SMILES
C1=CC(=CC=C1/C=C/C[C@@H](CO)[C@@H](C2=CC=C(C=C2)O)NC3=CC=C(C=C3)F)F
InChI
InChI=1S/C24H23F2NO2/c25-20-8-4-17(5-9-20)2-1-3-19(16-28)24(18-6-14-23(29)15-7-18)27-22-12-10-21(26)11-13-22/h1-2,4-15,19,24,27-29H,3,16H2/b2-1+/t19-,24+/m0/s1
InChIKey
IGXOLFHCRMDQKD-RNXITGHGSA-N
Chemical Structure
2D Structure
2D structure of 3'-Anhydro Ezetimibe Alcohol Impurity
CAS: 1374250-07-3
CID: 58827438
Formula: C24H23F2NO2
MW: 395.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP36
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass395.16968530
Monoisotopic Mass395.16968530
Topological Polar Surface Area52.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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