NAV

Tosufloxacin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Tosufloxacin
DrugBank Accession Number
DB16850
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 404.349
Monoisotopic: 404.109624848
Chemical Formula
C19H15F3N4O3
Synonyms
  • Tosufloxacin
External IDs
  • A 61827
  • A 67107
  • A-61827
  • A-67107
  • Abbott 61827
  • Abbott-61827
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Tosufloxacin tosylate monohydrate5L69LG8ZDQ1400591-39-0SSULTCPIIYRGFQ-UHFFFAOYSA-N

Categories

ATC Codes
J01MA22 — TosufloxacinS01AE09 — Tosufloxacin
Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
GHJ553KQPS
CAS number
100490-36-6
InChI Key
WUWFMDMBOJLQIV-UHFFFAOYSA-N
InChI
InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)
IUPAC Name
7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
SMILES
NC1CCN(C1)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O

References

General References
Not Available
ChemSpider
5316
BindingDB
50230834
ChEBI
77581
ChEMBL
CHEMBL273348
Wikipedia
Tosufloxacin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0762 mg/mLALOGPS
logP0.4ALOGPS
logP0.47Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)5.22Chemaxon
pKa (Strongest Basic)9.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area99.76 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity98.35 m3·mol-1Chemaxon
Polarizability37.18 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-0008900000-7f0574dc59af9dfe8126
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0009200000-d5775858a62238b69641
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0009200000-ac4987fb6daf123a94bf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-0009100000-f743a56e997b8c7e2c29
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0cla-0009100000-fd5d9326e24fcc0c58d3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-0039000000-49b77d40dc317560c8e2
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-193.74535
predicted
DeepCCS 1.0 (2019)
[M+H]+196.14091
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.15987
predicted
DeepCCS 1.0 (2019)

Drug created at July 25, 2022 16:17 / Updated at December 13, 2022 10:46