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Chemical structure of Tosufloxacin tosylate hydrate (A-61827 tosylate hydrate)

GC33843

Tosufloxacin tosylate hydrate (A-61827 tosylate hydrate)

Also known as 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid;hydrate

Tosufloxacin tosylate hydrate (A-61827 tosylate hydrate) (A-61827) is an orally active fluoroquinolone antibiotic

ChemicalCAS1400591-39-0MW594.56FormulaC26H25F3N4O7S
CAS number
1400591-39-0
Molecular weight
594.56
Formula
C26H25F3N4O7S
Solubility
DMSO ： ≥ 33 mg/mL (55·50 mM)
InChIKey
SSULTCPIIYRGFQ-UHFFFAOYSA-N
Catalogue number
GC33843
Brand
GLPBIO
Computed properties PubChem CID 5282468 · TPSA 164 Ų · H-bond donors 4 · H-bond acceptors 14
TPSA
164 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
4
Heavy atoms
41

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O

Computed descriptors from PubChem (CID 5282468), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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