NAV

Azodicarbonamide

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

Identification

Generic Name
Azodicarbonamide
DrugBank Accession Number
DB16861
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 116.08
Monoisotopic: 116.033425385
Chemical Formula
C2H4N4O2
Synonyms
  • 1,1'-Azobis(formamide)
  • 1,1'-Azobisformamide
  • Azobiscarboxamide
  • Azodicarboxylic acid diamide
External IDs
  • NSC-41038
  • NSC-674447
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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
56Z28B9C8O
CAS number
123-77-3
InChI Key
XOZUGNYVDXMRKW-AATRIKPKSA-N
InChI
InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+
IUPAC Name
(E)-(carbamoylimino)urea
SMILES
NC(=O)\N=N\C(N)=O

References

General References
Not Available
Human Metabolome Database
HMDB0029616
ChemSpider
4575589
BindingDB
50455377
ChEBI
156571
ChEMBL
CHEMBL28517
ZINC
ZINC000012404985
Wikipedia
Azodicarbonamide

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 Solubility3.93 mg/mLALOGPS
logP-1.3ALOGPS
logP-1.8Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)11.51Chemaxon
pKa (Strongest Basic)-7.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area110.9 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity23.09 m3·mol-1Chemaxon
Polarizability9 Å3Chemaxon
Number of Rings0Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01bc-9700000000-9aebaa6ab01823c8ba9c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9200000000-e270673169862bc6ed90
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-ffb470f39a49bdcba6b5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-426047ae0f781680ddef
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-44ce0ca8198ec7e5e9c6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-9ea0ef99286ed697922f
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-122.1664499
predicted
DarkChem Lite v0.1.0
[M-H]-124.45085
predicted
DeepCCS 1.0 (2019)
[M+H]+123.5787499
predicted
DarkChem Lite v0.1.0
[M+H]+126.67273
predicted
DeepCCS 1.0 (2019)
[M+Na]+122.5603499
predicted
DarkChem Lite v0.1.0
[M+Na]+135.62141
predicted
DeepCCS 1.0 (2019)

Drug created at July 26, 2022 15:03 / Updated at December 01, 2022 11:31