(S)-3-((R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
Basic information
- CAS
528565-93-7- Standard SMILES
O=C(CCC[C@@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1- InChIKey
AVAZNWOHQJYCEL-QZTJIDSGSA-N- Molecular formula
- C20H20FNO4
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.13763628
Names & identifiers
- Preferred name
- (S)-3-((R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
- IUPAC
- (4S)-3-[(5R)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
- English name
- (S)-3-((R)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
- Molecular formula
- C20H20FNO4
- Molecular weight
- 357.38
Names & synonyms
528565-93-7(S)-3-((R)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one(S)-3-[(R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-oneRefChem:407966886-545-2Ezetimibe Impurity 4(4S)-3-[(5R)-5-(4-FLUOROPHENYL)-5-HYDROXYPENTANOYL]-4-PHENYL-1,3-OXAZOLIDIN-2-ONEMFCD28411234(4S)-3-[(5R)-5-(4-Fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone2-Oxazolidinone, 3-[(5R)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-, (4S)-Ezetimibe Impurity 24Ezetimibe-26
Show more names
Ezetimibe Impurity 40(3-[5-(4-Fluoro-phenyl)-5-(R)-hydroxy-pentanoyl]-4-(S)-phenyl-oxazolidin-2-one)(S)-3-((R)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one? (Ezetimibe Impurity）Ezetimibe impuriry 25/(S)-3-((R)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
Ezetimibe Impuriry SEzetimibe Impurity 403EL3L5F5XCEzetimibe impurity (3-[5-(4-Fluoro-phenyl)-5-(R)-hydroxy-pentanoyl]-4-(S)-phenyl-oxazolidin-2-one)SCHEMBL515643AKOS025149417BS-51393SY278106
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Melting point
- 58 · 58 - 61oC
- Boiling point
- 572.7 · 572.7±50.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 14.17 · 14.17±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses(S)-3-((R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one is a key intermediate in the preparation of Ezetimibe for treating high cholesterol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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