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Ezetimibe Impurity 192

CAT: 1299-RM-E262192-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262192-02Size:25 mg
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CAS Number
272778-13-9
Synonyms
(3R,4S) -1- (4-fluorophenyl) -3- ((S) -3- (4-fluorophenyl) -3- ((trimethylsilyl) oxy) propyl) -4- (4- ((trimethylsilyl) oxy) phenyl) azetidin-2-one
Molecular Formula
C30H37F2NO3Si2
Molecular Weight
553.8
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4S) -1- (4-fluorophenyl) -3- ((S) -3- (4-fluorophenyl) -3- ((trimethylsilyl) oxy) propyl) -4- (4- ((trimethylsilyl) oxy) phenyl) azetidin-2-one

Chemical Information

(3R,4S)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-((trimethylsilyl)oxy)propyl)-4-(4-((trimethylsilyl)oxy)phenyl)azetidin-2-one
CAS Number272778-13-9
PubChem CID11387325
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-trimethylsilyloxypropyl]-4-(4-trimethylsilyloxyphenyl)azetidin-2-one
Molecular FormulaC30H37F2NO3Si2
Molecular Weight553.8
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity764
SMILES
C[Si](C)(C)OC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O[Si](C)(C)C
InChI
InChI=1S/C30H37F2NO3Si2/c1-37(2,3)35-26-17-9-22(10-18-26)29-27(30(34)33(29)25-15-13-24(32)14-16-25)19-20-28(36-38(4,5)6)21-7-11-23(31)12-8-21/h7-18,27-29H,19-20H2,1-6H3/t27-,28+,29-/m1/s1
InChIKey
JHMCCBLFRSWDAL-SSBOKUKZSA-N
Chemical Structure
2D Structure
2D structure of (3R,4S)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-((trimethylsilyl)oxy)propyl)-4-(4-((trimethylsilyl)oxy)phenyl)azetidin-2-one
CAS: 272778-13-9
CID: 11387325
Formula: C30H37F2NO3Si2
MW: 553.8
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight553.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass553.22800344
Monoisotopic Mass553.22800344
Topological Polar Surface Area38.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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