This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Benzyl nicotinate is a rubefacient and vasodilator used in combination with analgesics in topical preparations.
- Generic Name
- Benzyl nicotinate
- DrugBank Accession Number
- DB15764
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Benzyl nicotinate (DB15764)
- Weight
- Average: 213.236
Monoisotopic: 213.078978598 - Chemical Formula
- C13H11NO2
- Synonyms
- Benzyl nicotinate
- Nicotinic acid benzyl ester
- Phenylmethyl 3-pyridinecarboxylate
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Used in combination to treat Back pain lower back Combination Product in combination with: Etofenamate (DB08984) •••••••••••• ••••• Used in combination to treat Bursitis Combination Product in combination with: Etofenamate (DB08984) •••••••••••• ••••• Used in combination to treat Osteoarthritis (oa) Combination Product in combination with: Etofenamate (DB08984) •••••••••••• ••••• Used in combination to treat Periarthritis Combination Product in combination with: Etofenamate (DB08984) •••••••••••• ••••• Used in combination to treat Rheumatism Combination Product in combination with: Etofenamate (DB08984) •••••••••••• ••••• - Contraindications & Blackbox Warnings
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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.- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image AMMELTZ YOKO YOKO Benzyl nicotinate (10 mg/100ml) + Chlorpheniramine maleate (100 mg/100ml) + Glycol salicylate (2.5 g/100ml) + Levomenthol (3 g/100ml) + Nonivamide (12 mg/100ml) Liquid Topical KOBAYASHI Healthcare (Malaysia) Sdn. Bhd. 2020-09-08 Not applicable Malaysia 
HOTFİX 100 MG/G + 10 MG/G KREM , 50 GRAM Benzyl nicotinate (10 mg/g) + Etofenamate (100 mg/g) Cream Topical KARFARMA İLAÇ SAN. VE TİC. A.Ş. 2020-08-14 Not applicable Turkey 
NEW AMMELTZ YOKO YOKO Benzyl nicotinate (10 mg) + Glycol salicylate (2500 mg) + Levomenthol (3000 mg) + Nonivamide (12 mg) Liquid Topical KOBAYASHI Healthcare (Malaysia) Sdn. Bhd. 2020-09-08 Not applicable Malaysia NEW AMMELTZ YOKO YOKO PLUS MASSAGE TOPICAL LIQUID Benzyl nicotinate (0.01 %) + Glycol salicylate (2.5 %) + Levomenthol (3 %) + Nonivamide (0.012 %) Liquid Topical KOBAYASHI Healthcare (Malaysia) Sdn. Bhd. 2020-09-08 Not applicable Malaysia RESTAFEN PLUS 5G /0,5G KREM Benzyl nicotinate (10 mg/g) + Etofenamate (100 mg/g) Cream Topical VEM İLAÇ SAN. VE TİC. A.Ş. 2012-02-09 Not applicable Turkey
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- S497LCF9C9
- CAS number
- 94-44-0
- InChI Key
- KVYGGMBOZFWZBQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
- IUPAC Name
- benzyl pyridine-3-carboxylate
- SMILES
- O=C(OCC1=CC=CC=C1)C1=CC=CN=C1
References
- General References
- TITCK Product Information: THERMOFLEX (benzyl nicotinate and etofenamate) topical cream [Link]
- External Links
- KEGG Compound
- C12865
- ChemSpider
- 6923
- 31767
- ChEBI
- 31268
- ChEMBL
- CHEMBL209744
- ZINC
- ZINC000000391816
- PDBe Ligand
- 0OM
- PDB Entries
- 4eh5
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Liquid Topical Emulsion Topical Cream Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 2.04 mg/mL ALOGPS logP 2.4 ALOGPS logP 2.48 Chemaxon logS -2 ALOGPS pKa (Strongest Basic) 3.24 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 39.19 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 60.54 m3·mol-1 Chemaxon Polarizability 22.39 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes 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 splash10-0a4i-2900000000-2b72775bc1c77b5ed992 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0bt9-0980000000-d38aa565cd949110c385 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9100000000-277b7aa4852f42a1ae19 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0900000000-506699450c8445be9e5d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00lu-9000000000-941ee11d12a186cf5ad8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-016r-9100000000-b9ae250aa44b40ebaebd 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]- 150.7162884 predictedDarkChem Lite v0.1.0 [M-H]- 150.7386884 predictedDarkChem Lite v0.1.0 [M-H]- 143.81831 predictedDeepCCS 1.0 (2019) [M+H]+ 150.7250884 predictedDarkChem Lite v0.1.0 [M+H]+ 151.3654884 predictedDarkChem Lite v0.1.0 [M+H]+ 146.21385 predictedDeepCCS 1.0 (2019) [M+Na]+ 150.8952884 predictedDarkChem Lite v0.1.0 [M+Na]+ 152.29211 predictedDeepCCS 1.0 (2019)
Drug created at August 19, 2020 22:48 / Updated at May 14, 2021 01:07