NAV

Didox

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

Identification

Generic Name
Didox
DrugBank Accession Number
DB12948
Background

Didox has been used in trials studying the supportive care of Gastric Cancer.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 169.136
Monoisotopic: 169.037507709
Chemical Formula
C7H7NO4
Synonyms
Not Available
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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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Didox is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Didox is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Didox is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Didox is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Didox is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Catechols / Benzoyl derivatives / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Hydroxamic acids / Polyols / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Aromatic homomonocyclic compound / Benzoic acid or derivatives / Benzoyl / Carboxylic acid derivative / Catechol / Hydrocarbon derivative / Hydroxamic acid / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
L106XFV0RQ
CAS number
69839-83-4
InChI Key
QJMCKEPOKRERLN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11)
IUPAC Name
N,3,4-trihydroxybenzamide
SMILES
ONC(=O)C1=CC(O)=C(O)C=C1

References

General References
Not Available
PubChem Compound
3045
PubChem Substance
347829091
ChemSpider
2937
ChEMBL
CHEMBL367788
ZINC
ZINC000003872288

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedSupportive CareGastric Cancer1

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 Solubility5.54 mg/mLALOGPS
logP0.06ALOGPS
logP0.21Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)8.32Chemaxon
pKa (Strongest Basic)-5.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area89.79 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity40.86 m3·mol-1Chemaxon
Polarizability15.22 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-000i-0900000000-21043608d378ab156645
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-b1682a9aa94cfe03d416
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-2b31ed679b640e9cab33
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-2900000000-92aaf2943b99af4779ed
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-4900000000-0cfea7e7aeec79924c98
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0btc-9600000000-4f92473d81e9c277a0c1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0v59-9300000000-6cef809dbdbe78e990a2
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]-137.514572
predicted
DarkChem Lite v0.1.0
[M-H]-132.7081
predicted
DeepCCS 1.0 (2019)
[M+H]+140.024472
predicted
DarkChem Lite v0.1.0
[M+H]+135.57106
predicted
DeepCCS 1.0 (2019)
[M+Na]+139.392972
predicted
DarkChem Lite v0.1.0
[M+Na]+144.4304
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:32 / Updated at June 12, 2020 16:53