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(3’S,3R,4R)-Ezetimibe

CAT: 0572-TRC-E975100-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E975100-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1478664-02-6
Hazard Statement
No Data Available; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=C1N(C2=CC=C(F)C=C2)[C@@H](C3=CC=C(O)C=C3)[C@H]1CC[C@@H](C4=CC=C(F)C=C4)O
Molecular Formula
C24H21F2NO3
Molecular Weight
409.43
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(3R,4R)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
CAS Number1478664-02-6
PubChem CID51455892
IUPAC Name(3R,4R)-1-(4-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
Complexity567
SMILES
C1=CC(=CC=C1[C@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O
InChI
InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23+/m1/s1
InChIKey
OLNTVTPDXPETLC-VJBWXMMDSA-N
Chemical Structure
2D Structure
2D structure of (3R,4R)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
CAS: 1478664-02-6
CID: 51455892
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
Complexity567
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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Alternative Products

CatalogName
427809-01(3’S,3R,4R) -Ezetimibe
AR-E02342-01(3'S,3R,4R) -Ezetimibe
427935-01(3R,4R,3’R) -Ezetimibe
TNC54296-01(3R,4R,3TMR) -Ezetimibe
AR-E02295-01Ezetimibe (3R,4R,3'R) -Isomer
160861(3’S,3R,4S) -Desfluoro Ezetimibe
sc-500332(3′S,3R,4S) -Desfluoro Ezetimibe
AR-E02296-01(3'S,3R,4S) -Desfluoro Ezetimibe
sc-497737(3′S) -ent-Ezetimibe
RM-E262007-01(3'R) -Ezetimibe; R, R, S-Ezetimibe

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