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Deacetamide Linezolid Phthalimide

CAT: 1596-AR-I07713-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I07713-01Size:25 Units
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CAS Number
168828-89-5
Synonyms
(S) -N-[[3-[3-Fluoro-4- (4-morpholinyl) phenyl]-2-oxo-5-oxazolidinyl]methyl]phthalimide; (S) -2-[[3-[3-Fluoro-4- (4-morpholinyl) phenyl]-2-oxo-5-oxazolidinyl]methyl]-1H-isoindole-1,3 (2H) -dione; 2-[[ (5S) -3-[3-fluoro-4- (4-morpholinyl) phenyl]-2-oxo-5-oxazolidinyl]methyl]-1H-Isoindole-1,3 (2H) -dione
Molecular Formula
C22H20FN3O5
Molecular Weight
425.41
API Name
Linezolid

Chemical Information

N-((3-(3-Fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)phthalimide, (S)-
CAS Number168828-89-5
PubChem CID12973056
IUPAC Name2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
Molecular FormulaC22H20FN3O5
Molecular Weight425.4
XLogP2
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity706
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CN4C(=O)C5=CC=CC=C5C4=O)F
InChI
InChI=1S/C22H20FN3O5/c23-18-11-14(5-6-19(18)24-7-9-30-10-8-24)25-12-15(31-22(25)29)13-26-20(27)16-3-1-2-4-17(16)21(26)28/h1-6,11,15H,7-10,12-13H2/t15-/m1/s1
InChIKey
FKZUTWSVQLXKQE-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of N-((3-(3-Fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)phthalimide, (S)-
CAS: 168828-89-5
CID: 12973056
Formula: C22H20FN3O5
MW: 425.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.4
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass425.13869891
Monoisotopic Mass425.13869891
Topological Polar Surface Area79.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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