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Ezetimibe Impurity 70

CAT: 1299-RM-E262070-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262070-04Size:100 mg
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CAS Number
942485-60-1
Synonyms
(3R,4S) -4- (4- ((tert-butyldimethylsilyl) oxy) phenyl) -1- (4-fluorophenyl) -3- ((S) -3- (4-fluorophenyl) -3-hydroxypropyl) azetidin-2-one
Molecular Formula
C30H35F2NO3Si
Molecular Weight
523.69
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4S) -4- (4- ((tert-butyldimethylsilyl) oxy) phenyl) -1- (4-fluorophenyl) -3- ((S) -3- (4-fluorophenyl) -3-hydroxypropyl) azetidin-2-one

Chemical Information

(3R,4S)-4-(4-((tert-Butyldimethylsilyl)oxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one
CAS Number942485-60-1
PubChem CID24983448
IUPAC Name(3R,4S)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
Molecular FormulaC30H35F2NO3Si
Molecular Weight523.7
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity750
SMILES
CC(C)(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
InChI
InChI=1S/C30H35F2NO3Si/c1-30(2,3)37(4,5)36-25-16-8-21(9-17-25)28-26(18-19-27(34)20-6-10-22(31)11-7-20)29(35)33(28)24-14-12-23(32)13-15-24/h6-17,26-28,34H,18-19H2,1-5H3/t26-,27+,28-/m1/s1
InChIKey
QOFYWUGCAVMHFJ-OZNIXHKMSA-N
Chemical Structure
2D Structure
2D structure of (3R,4S)-4-(4-((tert-Butyldimethylsilyl)oxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one
CAS: 942485-60-1
CID: 24983448
Formula: C30H35F2NO3Si
MW: 523.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass523.23542684
Monoisotopic Mass523.23542684
Topological Polar Surface Area49.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity750
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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