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Chemical structure of Zoliflodacin

GC19391

Zoliflodacin

Also known as (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

Zoliflodacin (ETX0914;AZD0914) is a novel spiropyrimidinetrione bacterial DNA gyrase/topoisomerase inhibitor

ChemicalCAS1620458-09-4MW487.44FormulaC22H22FN5O7
CAS number
1620458-09-4
Molecular weight
487.44
Formula
C22H22FN5O7
Solubility
DMSO ： 140 mg/mL (287·21 mM)
InChIKey
ZSWMIFNWDQEXDT-ZESJGQACSA-N
Catalogue number
GC19391
Brand
GLPBIO
Computed properties PubChem CID 76685216 · XLogP 1.3 · TPSA 143 Ų · H-bond donors 2
XLogP
1.3
TPSA
143 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
1
Heavy atoms
35

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=O

Computed descriptors from PubChem (CID 76685216), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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