Identification
- Generic Name
- Vocacapsaicin
- DrugBank Accession Number
- DB17071
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Vocacapsaicin (DB17071)
- Weight
- Average: 459.631
Monoisotopic: 459.309706812 - Chemical Formula
- C26H41N3O4
- Synonyms
- 1-piperidinecarboxylic acid, 2-((methylamino)methyl)-, 2-methoxy-4-((((6e)-8-methyl-1-oxo-6-nonen-1-yl)amino)methyl) phenyl ester
- 2-methoxy-4-(((6e)-8-methylnon-6-enamido)methyl)phenyl (2rs)-2-((methylamino)methyl)piperidine-1-carboxylate
- External IDs
- CA-008
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- KRJ8H9BOG7
- CAS number
- 1931116-86-7
- InChI Key
- BXAQOVOOXOHMFY-YRNVUSSQSA-N
- InChI
- InChI=1S/C26H41N3O4/c1-20(2)11-7-5-6-8-13-25(30)28-18-21-14-15-23(24(17-21)32-4)33-26(31)29-16-10-9-12-22(29)19-27-3/h7,11,14-15,17,20,22,27H,5-6,8-10,12-13,16,18-19H2,1-4H3,(H,28,30)/b11-7+
- IUPAC Name
- 2-methoxy-4-{[(6E)-8-methylnon-6-enamido]methyl}phenyl 2-[(methylamino)methyl]piperidine-1-carboxylate
- SMILES
- CNCC1CCCCN1C(=O)OC1=CC=C(CNC(=O)CCCC\C=C\C(C)C)C=C1OC
References
- General References
- Not Available
- External Links
- ChemSpider
- 115006933
- ChEMBL
- CHEMBL4594294
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Pain 1 2 Completed Treatment Postoperative pain 3 1 Completed Treatment Hallux Valgus Deformity 1 1, 2 Completed Treatment Postoperative pain 2
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 0.00249 mg/mL ALOGPS logP 4.15 ALOGPS logP 4.32 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 15.3 Chemaxon pKa (Strongest Basic) 9.71 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 79.9 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 132.48 m3·mol-1 Chemaxon Polarizability 53.49 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 18, 2022 15:27 / Updated at December 01, 2022 11:34