NAV

Diaziquone

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

Identification

Generic Name
Diaziquone
DrugBank Accession Number
DB17174
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 364.358
Monoisotopic: 364.13828438
Chemical Formula
C16H20N4O6
Synonyms
  • Aziridinyl benzoquinone
  • AZQ
  • Carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl ester
  • Diaziquone
  • Diethyl 2,5-bis-(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamate
  • NSC-182986
External IDs
  • AZQ
  • CI-904
  • NSC-182986
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Pharmacology

Indication

Not Available

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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
FQL5EUP13W
CAS number
57998-68-2
InChI Key
WVYXNIXAMZOZFK-UHFFFAOYSA-N
InChI
InChI=1S/C16H20N4O6/c1-3-25-15(23)17-9-11(19-5-6-19)14(22)10(18-16(24)26-4-2)12(13(9)21)20-7-8-20/h3-8H2,1-2H3,(H,17,23)(H,18,24)
IUPAC Name
ethyl N-[2,5-bis(aziridin-1-yl)-4-[(ethoxycarbonyl)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
SMILES
CCOC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)OCC)=C(N2CC2)C1=O

References

General References
Not Available
Human Metabolome Database
HMDB0251150
ChemSpider
38867
ChEBI
90185
ChEMBL
CHEMBL36016
ZINC
ZINC000008214540

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 Solubility2.24 mg/mLALOGPS
logP0.41ALOGPS
logP-0.72Chemaxon
logS-2.2ALOGPS
pKa (Strongest Acidic)10.94Chemaxon
pKa (Strongest Basic)-8.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area116.82 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity93.36 m3·mol-1Chemaxon
Polarizability36.22 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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 24, 2022 16:40 / Updated at December 01, 2022 11:36