86426-17-7 Purity
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Specification
The molecular formula of Itarnafloxin is C35H33FN6O3.
Itarnafloxin is also known as Quarfloxin.
The molecular weight of Itarnafloxin is 604.7 g/mol.
The IUPAC name of Itarnafloxin is 15-fluoro-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-yl)-12-oxa-1-azapentacyclo[11.7.1.0 2,11 .0 4,9 .0 17,21 ]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide.
The InChIKey of Itarnafloxin is WOQIDNWTQOYDLF-CGAIIQECSA-N.
The canonical SMILES representation of Itarnafloxin is CN1CCCC1CCNC(=O)C2=CN3C4=CC5=CC=CC=C5C=C4OC6=C3C(=CC(=C6N7CCC(C7)C8=NC=CN=C8)F)C2=O.
Itarnafloxin has 1 hydrogen bond donor count.
Itarnafloxin has 9 hydrogen bond acceptor counts.
The topological polar surface area of Itarnafloxin is 90.9 Å^2.
The formal charge of Itarnafloxin is 0.