Budipine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Budipine
- DrugBank Accession Number
- DB13502
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 293.454
Monoisotopic: 293.214349873 - Chemical Formula
- C21H27N
- Synonyms
- Budipine
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmisulpride The therapeutic efficacy of Budipine can be decreased when used in combination with Amisulpride. Aripiprazole The therapeutic efficacy of Budipine can be decreased when used in combination with Aripiprazole. Aripiprazole lauroxil The therapeutic efficacy of Budipine can be decreased when used in combination with Aripiprazole lauroxil. Asenapine The therapeutic efficacy of Budipine can be decreased when used in combination with Asenapine. Brexpiprazole The therapeutic efficacy of Budipine can be decreased when used in combination with Brexpiprazole. - Food Interactions
- Not Available
Categories
- ATC Codes
- N04BX03 — Budipine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Diphenylmethanes
- Direct Parent
- Diphenylmethanes
- Alternative Parents
- Phenylpiperidines / Aralkylamines / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- Amine / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Diphenylmethane / Hydrocarbon derivative / Organic nitrogen compound / Organoheterocyclic compound / Organonitrogen compound / Organopnictogen compound
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- L9026OPI2Z
- CAS number
- 57982-78-2
- InChI Key
- QIHLUZAFSSMXHQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
- IUPAC Name
- 1-tert-butyl-4,4-diphenylpiperidine
- SMILES
- CC(C)(C)N1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 62021
- BindingDB
- 50062600
- 19832
- ChEBI
- 135228
- ChEMBL
- CHEMBL334491
- ZINC
- ZINC000001481990
- Wikipedia
- Budipine
Clinical Trials
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 0.00129 mg/mL ALOGPS logP 5.34 ALOGPS logP 4.95 Chemaxon logS -5.4 ALOGPS pKa (Strongest Basic) 9.99 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 3.24 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 105.64 m3·mol-1 Chemaxon Polarizability 35.53 Å3 Chemaxon Number of Rings 3 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-054o-5590000000-0ea763baef329cb3dc24 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-164aabbf1f878fc335ad Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-b12d7594eb1d5fe842de Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052f-3890000000-490209382558e08388b3 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-2cac20674ba61d3f2be4 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-08i3-1690000000-4ec96eabcee084ff64e3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-052f-0910000000-d66011660c05e9fa9b70 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]- 184.6747822 predictedDarkChem Lite v0.1.0 [M-H]- 170.31831 predictedDeepCCS 1.0 (2019) [M+H]+ 185.1243822 predictedDarkChem Lite v0.1.0 [M+H]+ 172.6763 predictedDeepCCS 1.0 (2019) [M+Na]+ 184.9023822 predictedDarkChem Lite v0.1.0 [M+Na]+ 178.8324 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:43 / Updated at February 21, 2021 18:54