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Ezetimibe meta-Fluoroaniline Analog

CAT: 1596-AR-E02325-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E02325-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1700622-06-5
Synonyms
N-Des (4-Fluorophenyl) -N- (3-fluorophenyl) Ezetimibe; (3R,4S) -1- (3-fluorophenyl) -3- ((S) -3- (4-fluorophenyl) -3-hydroxypropyl) -4- (4-hydroxyphenyl) azetidin-2-one
Molecular Formula
C24H21F2NO3
Molecular Weight
409.43
API Name
Ezetimibe

Chemical Information

Ezetimibe 3-Fluoro Impurity
CAS Number1700622-06-5
PubChem CID122218674
IUPAC Name(3R,4S)-1-(3-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
Molecular FormulaC24H21F2NO3
Molecular Weight409.4
XLogP4
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity575
SMILES
C1=CC(=CC(=C1)F)N2[C@@H]([C@H](C2=O)CC[C@@H](C3=CC=C(C=C3)F)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C24H21F2NO3/c25-17-8-4-15(5-9-17)22(29)13-12-21-23(16-6-10-20(28)11-7-16)27(24(21)30)19-3-1-2-18(26)14-19/h1-11,14,21-23,28-29H,12-13H2/t21-,22+,23-/m1/s1
InChIKey
QAWZOIHXNLVZMK-XPWALMASSA-N
Chemical Structure
2D Structure
2D structure of Ezetimibe 3-Fluoro Impurity
CAS: 1700622-06-5
CID: 122218674
Formula: C24H21F2NO3
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass409.14894986
Monoisotopic Mass409.14894986
Topological Polar Surface Area60.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity575
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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RM-E262014-01Ezetimibe Impurity N; Ezetimibe meta-Fluoroaniline isomer (USP)
RM-E262136-01Ezetimibe Tetrahydropyran Analog
RM-E262134-01Ezetimibe Meta-Fluorobenzene Isomer
RM-E262036-01Ezetimibe Tetrahydropyran Analog (USP)
RM-E262009-01Ezetimibe Impurity I; Ezetimibe Desfluoroaniline Analog (Usp)
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