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Ezetimibe Impurity 49

CAT: 1299-RM-E262049-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262049-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2125942-22-3
Synonyms
(R) -3- ((2S,5R) -5- (4-fluorophenyl) -2- ((R) - ((4-fluorophenyl) amino) (4- ((trimethylsilyl) oxy) phenyl) methyl) -5- ((trimethylsilyl) oxy) pentanoyl) -4-phenyloxazolidin-2-one
Molecular Formula
C39H46F2N2O5Si2
Molecular Weight
716.96
Target Alternative Name
Ezetimibe
Product Name Synonym
(R) -3- ((2S,5R) -5- (4-fluorophenyl) -2- ((R) - ((4-fluorophenyl) amino) (4- ((trimethylsilyl) oxy) phenyl) methyl) -5- ((trimethylsilyl) oxy) pentanoyl) -4-phenyloxazolidin-2-one

Chemical Information

Ezetimibe Impurity 49
CAS Number2125942-22-3
PubChem CID91927761
IUPAC Name(4R)-3-[(2S,5R)-2-[(R)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
Molecular FormulaC39H46F2N2O5Si2
Molecular Weight717.0
Topological Polar Surface Area77.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count50
Formal Charge0
Complexity1080
SMILES
C[Si](C)(C)OC1=CC=C(C=C1)[C@@H]([C@H](CC[C@H](C2=CC=C(C=C2)F)O[Si](C)(C)C)C(=O)N3[C@@H](COC3=O)C4=CC=CC=C4)NC5=CC=C(C=C5)F
InChI
InChI=1S/C39H46F2N2O5Si2/c1-49(2,3)47-33-22-14-29(15-23-33)37(42-32-20-18-31(41)19-21-32)34(24-25-36(48-50(4,5)6)28-12-16-30(40)17-13-28)38(44)43-35(26-46-39(43)45)27-10-8-7-9-11-27/h7-23,34-37,42H,24-26H2,1-6H3/t34-,35-,36+,37-/m0/s1
InChIKey
XXMINDVVBVJXLN-FBBJYXRJSA-N
Chemical Structure
2D Structure
2D structure of Ezetimibe Impurity 49
CAS: 2125942-22-3
CID: 91927761
Formula: C39H46F2N2O5Si2
MW: 717.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight717.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass716.29133197
Monoisotopic Mass716.29133197
Topological Polar Surface Area77.1 Ų
Heavy Atom Count50
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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