Flomoxef

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

Identification

Name
Flomoxef
Accession Number
DB11935
Type
Small Molecule
Groups
Investigational
Description

Flomoxef has been used in trials studying the treatment of Urinary Tract Infection.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Flomoxef Sodium445HIB8XNF92823-03-5PPPZBOLFWGINKN-YLCXCWDSSA-M
Categories
UNII
V9E5U5XF42
CAS number
99665-00-6
Weight
Average: 496.46
Monoisotopic: 496.064645618
Chemical Formula
C15H18F2N6O7S2
InChI Key
UHRBTBZOWWGKMK-DOMZBBRYSA-N
InChI
InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1
IUPAC Name
(6R,7R)-7-{2-[(difluoromethyl)sulfanyl]acetamido}-3-({[1-(2-hydroxyethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES
CO[C@]1(NC(=O)CSC(F)F)[C@H]2OCC(CSC3=NN=NN3CCO)=C(N2C1=O)C(O)=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcenocoumarolFlomoxef may increase the anticoagulant activities of Acenocoumarol.
AcetaminophenFlomoxef may decrease the excretion rate of Acetaminophen which could result in a higher serum level.
Acetylsalicylic acidThe risk or severity of nephrotoxicity can be increased when Flomoxef is combined with Acetylsalicylic acid.
AcyclovirFlomoxef may decrease the excretion rate of Acyclovir which could result in a higher serum level.
Adefovir DipivoxilThe risk or severity of nephrotoxicity can be increased when Flomoxef is combined with Adefovir Dipivoxil.
Alendronic acidThe risk or severity of nephrotoxicity and hypocalcemia can be increased when Flomoxef is combined with Alendronic acid.
AlmotriptanFlomoxef may decrease the excretion rate of Almotriptan which could result in a higher serum level.
AlprazolamFlomoxef may decrease the excretion rate of Alprazolam which could result in a higher serum level.
AmantadineFlomoxef may decrease the excretion rate of Amantadine which could result in a higher serum level.
AmikacinThe risk or severity of nephrotoxicity can be increased when Flomoxef is combined with Amikacin.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
65864
PubChem Substance
347828262
ChemSpider
59274
ChEBI
135813
ChEMBL
CHEMBL15413
Wikipedia
Flomoxef
ATC Codes
J01DC14 — Flomoxef

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentUrinary Tract Infections (UTIs)1

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 Solubility1.22 mg/mLALOGPS
logP-0.59ALOGPS
logP-0.11ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)3.28ChemAxon
pKa (Strongest Basic)-1.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area169 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity119.66 m3·mol-1ChemAxon
Polarizability43.37 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Oxacephems / Alkylarylthioethers / Tetrazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Azetidines / Alkanolamines / Sulfenyl compounds / Azacyclic compounds
show 11 more
Substituents
N-acyl-alpha amino acid or derivatives / Oxacephem / Aryl thioether / Alkylarylthioether / Azole / Beta-lactam / Tertiary carboxylic acid amide / Heteroaromatic compound / Tetrazole / Azetidine
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:02 / Updated on October 01, 2018 16:47