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Ezetimibe Ring-Open Impurity

CAT: 1299-RM-E262033-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262033-01Size:10 mg
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CAS Number
1197811-72-5
Synonyms
(2R,5S) -N,5-bis (4-fluorophenyl) -5-hydroxy-2- (4-hydroxybenzyl) pentanamide
Molecular Formula
C24H23F2NO3
Molecular Weight
411.45
Target Alternative Name
Ezetimibe
Product Name Synonym
(2R,5S) -N,5-bis (4-fluorophenyl) -5-hydroxy-2- (4-hydroxybenzyl) pentanamide

Chemical Information

2-(4-Hydroxybenzyl)-N,5-bis-(4-fluorophenyl)-5-hydroxypentanamide
CAS Number1197811-72-5
PubChem CID58284448
IUPAC Name(2R,5S)-N,5-bis(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]pentanamide
Molecular FormulaC24H23F2NO3
Molecular Weight411.4
XLogP4.4
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity511
SMILES
C1=CC(=CC=C1C[C@@H](CC[C@@H](C2=CC=C(C=C2)F)O)C(=O)NC3=CC=C(C=C3)F)O
InChI
InChI=1S/C24H23F2NO3/c25-19-6-3-17(4-7-19)23(29)14-5-18(15-16-1-12-22(28)13-2-16)24(30)27-21-10-8-20(26)9-11-21/h1-4,6-13,18,23,28-29H,5,14-15H2,(H,27,30)/t18-,23+/m1/s1
InChIKey
CJMGACWDXHCPAC-JPYJTQIMSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Hydroxybenzyl)-N,5-bis-(4-fluorophenyl)-5-hydroxypentanamide
CAS: 1197811-72-5
CID: 58284448
Formula: C24H23F2NO3
MW: 411.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.4
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass411.16459992
Monoisotopic Mass411.16459992
Topological Polar Surface Area69.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity511
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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