Zoliflodacin
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
Molecular Identity
Zoliflodacin
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
PubChem CID: 76685216
2D Structure
Properties
C22H22FN5O7
Molecular Formula
487.40
Molecular Weight
g/mol
487.1503
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
143
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
962
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN2C(C(O1)C)C3(CC4=CC5=C(C(=C42)F)ON=C5N6C(COC6=O)C)C(=O)NC(=O)NC3=OIsomeric SMILES
SMILES: C[C@@H]1CN2[C@H]([C@@H](O1)C)C3(CC4=CC5=C(C(=C42)F)ON=C5N6[C@H](COC6=O)C)C(=O)NC(=O)NC3=OSynonyms(20)
Zoliflodacin1620458-09-4AZD0914AZD-0914ZoliflodacinaZoliflodacineETX0914ETX-0914FWL2263R77DTXSID101028418(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione(2R,4S,4AS)-11-Fluoro-2,4-dimethyl-8-((4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,4a-tetrahydro-2'H,6H-spiro((1,2)-oxazolo(4,5-g)(1,4)oxazino(4,3-a)quinoline-5,5'-pyrimidine)-2',4',6'(1'H,3'H)-trionezoliflodacinum(2R,4S,4aS)-11-Fluoro-1,2,4,4a-tetrahydro-2,4-dimethyl-8-((4S)-4-methyl-2-oxo-3-oxazolidinyl)spiro(isoxazolo(4,5-g)(1,4)oxazino(4,3-a)quinoline-5(6H),5'(2'H)-pyrimidine)-2',4',6'(1'H,3'H)-trione(2R,4S,4aS)-11-Fluoro-1,2,4,4a-tetrahydro-2,4-dimethyl-8-[(4S)-4-methyl-2-oxo-3-oxazolidinyl]spiro[isoxazolo[4,5-g][1,4]oxazino[4,3-a]quinoline-5(6H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione
Data from PubChem (NCBI)
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