Azasetron
Star0
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
- Weight
- Average: 349.82
Monoisotopic: 349.1193192 - Chemical Formula
- C17H20ClN3O3
- Synonyms
- Azasetron
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Azasetron Besylate UXP39EQ477 2025360-91-0 GFVBDLIBPSGFDL-ZOWNYOTGSA-N Azasetron hydrochloride 2BSS7XL60S 123040-16-4 DBMKBKPJYAHLQP-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
- External Links
- Human Metabolome Database
- HMDB0248768
- ChemSpider
- 2177
- ChEBI
- 91712
- ChEMBL
- CHEMBL1598608
- Wikipedia
- Azasetron
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Basic Science Hearing loss or impairment 1 2 Recruiting Prevention Ototoxic Hearing Loss 1
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
Property Value Source Water Solubility 0.382 mg/mL ALOGPS logP 1.83 ALOGPS logP 0.67 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 13.51 Chemaxon pKa (Strongest Basic) 7.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 61.88 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 90.69 m3·mol-1 Chemaxon Polarizability 35.89 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-6299963b3be64679b802 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0009000000-1d0bf6fd3cffd9adb688 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0109000000-02d01bcb103389b30651 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00dj-2149000000-90345ac774c86e5a3d9e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-054o-0963000000-ed2fb897ff757eb61b7d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9225000000-a781554182e4c5c931de Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 172.89973 predictedDeepCCS 1.0 (2019) [M+H]+ 175.25774 predictedDeepCCS 1.0 (2019) [M+Na]+ 181.39938 predictedDeepCCS 1.0 (2019)
Drug created at July 18, 2022 19:18 / Updated at September 28, 2023 05:47