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Ezetimibe Impurity 83

CAT: 1299-RM-E262083-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262083-01Size:10 mg
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CAS Number
1197343-09-1
Synonyms
(3R,4S) -4- (4- (benzyloxy) phenyl) -1- (4-fluorophenyl) -3- ((S) -3- (4-fluorophenyl) -3- ((trimethylsilyl) oxy) propyl) azetidin-2-one
Molecular Formula
C34H35F2NO3Si
Molecular Weight
571.73
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4S) -4- (4- (benzyloxy) phenyl) -1- (4-fluorophenyl) -3- ((S) -3- (4-fluorophenyl) -3- ((trimethylsilyl) oxy) propyl) azetidin-2-one

Chemical Information

(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-trimethylsilyloxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CAS Number1197343-09-1
PubChem CID44517251
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-trimethylsilyloxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
Molecular FormulaC34H35F2NO3Si
Molecular Weight571.7
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity809
SMILES
C[Si](C)(C)O[C@@H](CC[C@@H]1[C@H](N(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C34H35F2NO3Si/c1-41(2,3)40-32(25-9-13-27(35)14-10-25)22-21-31-33(37(34(31)38)29-17-15-28(36)16-18-29)26-11-19-30(20-12-26)39-23-24-7-5-4-6-8-24/h4-20,31-33H,21-23H2,1-3H3/t31-,32+,33-/m1/s1
InChIKey
LTGYUNOUVQYNOF-XKKJXBDVSA-N
Chemical Structure
2D Structure
2D structure of (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-trimethylsilyloxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CAS: 1197343-09-1
CID: 44517251
Formula: C34H35F2NO3Si
MW: 571.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight571.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass571.23542684
Monoisotopic Mass571.23542684
Topological Polar Surface Area38.8 Ų
Heavy Atom Count41
Formal Charge0
Complexity809
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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