NAV

Azasetron

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

Identification

Generic Name
Azasetron
DrugBank Accession Number
DB16837
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 349.82
Monoisotopic: 349.1193192
Chemical Formula
C17H20ClN3O3
Synonyms
  • Azasetron
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Azasetron BesylateUXP39EQ4772025360-91-0GFVBDLIBPSGFDL-ZOWNYOTGSA-N
Azasetron hydrochloride2BSS7XL60S123040-16-4DBMKBKPJYAHLQP-UHFFFAOYSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
77HC7URR9Z
CAS number
123040-69-7
InChI Key
WUKZPHOXUVCQOR-UHFFFAOYSA-N
InChI
InChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)
IUPAC Name
N-{1-azabicyclo[2.2.2]octan-3-yl}-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILES
CN1C(=O)COC2=C(C=C(Cl)C=C12)C(=O)NC1CN2CCC1CC2

References

General References
Not Available
Human Metabolome Database
HMDB0248768
ChemSpider
2177
ChEBI
91712
ChEMBL
CHEMBL1598608
Wikipedia
Azasetron

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingBasic ScienceHearing loss or impairment1
2RecruitingPreventionOtotoxic Hearing Loss1

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 Solubility0.382 mg/mLALOGPS
logP1.83ALOGPS
logP0.67Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)13.51Chemaxon
pKa (Strongest Basic)7.7Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area61.88 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity90.69 m3·mol-1Chemaxon
Polarizability35.89 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-0udi-0009000000-6299963b3be64679b802
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-1d0bf6fd3cffd9adb688
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0109000000-02d01bcb103389b30651
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dj-2149000000-90345ac774c86e5a3d9e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-054o-0963000000-ed2fb897ff757eb61b7d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9225000000-a781554182e4c5c931de
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]-172.89973
predicted
DeepCCS 1.0 (2019)
[M+H]+175.25774
predicted
DeepCCS 1.0 (2019)
[M+Na]+181.39938
predicted
DeepCCS 1.0 (2019)

Drug created at July 18, 2022 19:18 / Updated at September 28, 2023 05:47