Flomoxef

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

Identification

Generic Name
Flomoxef
DrugBank Accession Number
DB11935
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 496.46
Monoisotopic: 496.064645618
Chemical Formula
C15H18F2N6O7S2
Synonyms
  • Flomoxef

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.
DrugInteraction
AbacavirFlomoxef may decrease the excretion rate of Abacavir which could result in a higher serum level.
AbciximabThe therapeutic efficacy of Abciximab can be decreased when used in combination with Flomoxef.
AceclofenacThe risk or severity of nephrotoxicity can be increased when Aceclofenac is combined with Flomoxef.
AcemetacinThe risk or severity of nephrotoxicity can be increased when Flomoxef is combined with Acemetacin.
AcenocoumarolThe risk or severity of bleeding can be increased when Flomoxef is combined with Acenocoumarol.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Flomoxef Sodium445HIB8XNF92823-03-5PPPZBOLFWGINKN-YLCXCWDSSA-M

Categories

ATC Codes
J01DC14 — Flomoxef
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alcohol / Alkanolamine / Alkyl fluoride / Alkyl halide / Alkylarylthioether / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Azetidine / Azole
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
V9E5U5XF42
CAS number
99665-00-6
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

References

General References
Not Available
PubChem Compound
65864
PubChem Substance
347828262
ChemSpider
59274
ChEBI
135813
ChEMBL
CHEMBL15413
ZINC
ZINC000003874302
Wikipedia
Flomoxef

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentUrinary Tract Infection1

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, Negative (Annotated)Predicted LC-MS/MSsplash10-07f4-3405900000-6ea4716e9737eab3ff17
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0000900000-3db578b4413cf71fbee4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6t-0000900000-0c2633cc317413a1d41c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0w39-8907200000-af8ee8e233c57e88f451
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0229-1319700000-a591d2d165abf235dbae
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-9111100000-2ac1ebcada163722a778
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]-219.9931849
predicted
DarkChem Lite v0.1.0
[M-H]-202.96071
predicted
DeepCCS 1.0 (2019)
[M+H]+220.4911849
predicted
DarkChem Lite v0.1.0
[M+H]+205.31871
predicted
DeepCCS 1.0 (2019)
[M+Na]+220.3911849
predicted
DarkChem Lite v0.1.0
[M+Na]+211.41185
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:02 / Updated at February 21, 2021 18:53