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Ezetimibe Impurity L

CAT: 1299-RM-E262012-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262012-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1700622-08-7
Synonyms
(3R,4S) -1- (4-chlorophenyl) -3- ((S) -3- (4-fluorophenyl) -3-hydroxypropyl) -4- (4-hydroxyphenyl) azetidin-2-one
Molecular Formula
C24H21ClFNO3
Molecular Weight
425.88
Target Alternative Name
Ezetimibe
Product Name Synonym
(3R,4S) -1- (4-chlorophenyl) -3- ((S) -3- (4-fluorophenyl) -3-hydroxypropyl) -4- (4-hydroxyphenyl) azetidin-2-one

Chemical Information

N-Des(4-Fluorophenyl)-N-(3-chlorophenyl)-ezetimibe
CAS Number1700622-08-7
PubChem CID122218675
IUPAC Name(3R,4S)-1-(4-chlorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
Molecular FormulaC24H21ClFNO3
Molecular Weight425.9
XLogP4.5
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity569
SMILES
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)Cl)CC[C@@H](C4=CC=C(C=C4)F)O)O
InChI
InChI=1S/C24H21ClFNO3/c25-17-5-9-19(10-6-17)27-23(16-3-11-20(28)12-4-16)21(24(27)30)13-14-22(29)15-1-7-18(26)8-2-15/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
InChIKey
NTYXJALWXKWNJK-XPWALMASSA-N
Chemical Structure
2D Structure
2D structure of N-Des(4-Fluorophenyl)-N-(3-chlorophenyl)-ezetimibe
CAS: 1700622-08-7
CID: 122218675
Formula: C24H21ClFNO3
MW: 425.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.9
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass425.1193994
Monoisotopic Mass425.1193994
Topological Polar Surface Area60.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity569
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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