NAV

Azintamide

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

Identification

Generic Name
Azintamide
DrugBank Accession Number
DB13992
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 259.75
Monoisotopic: 259.054611
Chemical Formula
C10H14ClN3OS
Synonyms
  • Azintamid
  • Azintamida
  • Azintamide
  • Azintamidum
  • Oragallin
External IDs
  • ST 9067
  • ST-9067
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
ACZ6L64B41
CAS number
1830-32-6
InChI Key
SSLKKMZJCJBOML-UHFFFAOYSA-N
InChI
InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3
IUPAC Name
2-[(6-chloropyridazin-3-yl)sulfanyl]-N,N-diethylacetamide
SMILES
CCN(CC)C(=O)CSC1=CC=C(Cl)N=N1

References

General References
Not Available
ChemSpider
64258
RxNav
402580
ChEBI
135068
ChEMBL
CHEMBL2104678
ZINC
ZINC000000000984

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Not Yet RecruitingTreatmentPatients With Dyspeptic Symptoms After Cholecystectomy1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.705 mg/mLALOGPS
logP2.12ALOGPS
logP1.34Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)18.8Chemaxon
pKa (Strongest Basic)-0.022Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area46.09 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity70.05 m3·mol-1Chemaxon
Polarizability26.36 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-01p9-0960000000-08d3208674d9275144e0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-08g1-4960000000-6c04eca56b4297ee9a64
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-1970000000-b7a98ff3140796e01c8e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052b-2900000000-d5b037d200742138f392
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0900000000-b0d03894f20596b5b411
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9100000000-c0221909cdacf3b7cca5
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]-149.84755
predicted
DeepCCS 1.0 (2019)
[M+H]+152.20557
predicted
DeepCCS 1.0 (2019)
[M+Na]+158.40941
predicted
DeepCCS 1.0 (2019)

Drug created at February 22, 2018 16:35 / Updated at February 21, 2021 18:54