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Ezetimibe Impurity 87

CAT: 1596-AR-E10998-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E10998-03Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1197343-07-9
Synonyms
(S) -3- ((2R,5S) -2- ((S) - (4- (benzyloxy) phenyl) ((4-fluorophenyl) amino) methyl) -5- (4-fluorophenyl) -5- ((trimethylsilyl) oxy) pentanoyl) -4-phenyloxazolidin-2-one
Molecular Formula
C43H44F2N2O5Si
Molecular Weight
734.92
API Name
Ezetimibe

Chemical Information

CID 122715538
CAS Number1197343-07-9
PubChem CID122715538
IUPAC Name(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
Molecular FormulaC43H44F2N2O5Si
Molecular Weight734.9
Topological Polar Surface Area77.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count53
Formal Charge0
Complexity1120
SMILES
C[Si](C)(C)O[C@@H](CC[C@H]([C@@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)NC3=CC=C(C=C3)F)C(=O)N4[C@H](COC4=O)C5=CC=CC=C5)C6=CC=C(C=C6)F
InChI
InChI=1S/C43H44F2N2O5Si/c1-53(2,3)52-40(32-14-18-34(44)19-15-32)27-26-38(42(48)47-39(29-51-43(47)49)31-12-8-5-9-13-31)41(46-36-22-20-35(45)21-23-36)33-16-24-37(25-17-33)50-28-30-10-6-4-7-11-30/h4-25,38-41,46H,26-29H2,1-3H3/t38-,39-,40+,41-/m1/s1
InChIKey
LPFTUTSFTAJELZ-PRURZLHWSA-N
Chemical Structure
2D Structure
2D structure of CID 122715538
CAS: 1197343-07-9
CID: 122715538
Formula: C43H44F2N2O5Si
MW: 734.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight734.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass734.29875537
Monoisotopic Mass734.29875537
Topological Polar Surface Area77.1 Ų
Heavy Atom Count53
Formal Charge0
Complexity1120
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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