N,N-bis({[(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl})acetamide

• ChemBase ID: 172309
• Molecular Formular: C30H35F2N5O7
• Molecular Mass: 615.6250064
• Monoisotopic Mass: 615.25045493
• SMILES: O1CCN(CC1)c1c(cc(cc1)N1C[C@@H](OC1=O)CN(C[C@H]1CN(c2cc(c(N3CCOCC3)cc2)F)C(=O)O1)C(=O)C)F
• Canonical SMILES: CC(=O)N(C[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1)C[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1
• InChI: InChI=1S/C30H35F2N5O7/c1-20(38)35(16-23-18-36(29(39)43-23)21-2-4-27(25(31)14-21)33-6-10-41-11-7-33)17-24-19-37(30(40)44-24)22-3-5-28(26(32)15-22)34-8-12-42-13-9-34/h2-5,14-15,23-24H,6-13,16-19H2,1H3/t23-,24-/m0/s1
• InChIKey: KZYMHNDGSFJVMU-ZEQRLZLVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis({[(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl})acetamide
• IUPAC Traditional name: N,N-bis({[(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl})acetamide
• Synonyms: N,N-bis[[(5S)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide; Bis(linezolid); Bis-Linezolid; Linezolid Dimer

Database IDs

• CAS Number: 908143-04-4
• PubChem SID: 164228219
• PubChem CID: 58996365

CALCULATED PROPERTIES

• H Acceptors: 9
• H Donor: 0
• LogD (pH = 5.5): 2.3036146
• LogD (pH = 7.4): 2.3036156
• Log P: 2.3036156
• Molar Refractivity: 154.4837 cm^3
• Polarizability: 58.39223 Å^3
• Polar Surface Area: 104.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - L466520

Linezolid Dimer is an impurity of the antibacterial agent Linezolid (L466500).