NAV

Budipine

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
3D
Similar Structures
Weight
Average: 293.454
Monoisotopic: 293.214349873
Chemical Formula
C21H27N
Synonyms
  • Budipine
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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.
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AmisulprideThe therapeutic efficacy of Budipine can be decreased when used in combination with Amisulpride.
AripiprazoleThe therapeutic efficacy of Budipine can be decreased when used in combination with Aripiprazole.
Aripiprazole lauroxilThe therapeutic efficacy of Budipine can be decreased when used in combination with Aripiprazole lauroxil.
AsenapineThe therapeutic efficacy of Budipine can be decreased when used in combination with Asenapine.
BrexpiprazoleThe 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
ChemSpider
62021
BindingDB
50062600
RxNav
19832
ChEBI
135228
ChEMBL
CHEMBL334491
ZINC
ZINC000001481990
Wikipedia
Budipine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00129 mg/mLALOGPS
logP5.34ALOGPS
logP4.95Chemaxon
logS-5.4ALOGPS
pKa (Strongest Basic)9.99Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area3.24 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity105.64 m3·mol-1Chemaxon
Polarizability35.53 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-054o-5590000000-0ea763baef329cb3dc24
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-164aabbf1f878fc335ad
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-b12d7594eb1d5fe842de
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-3890000000-490209382558e08388b3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-2cac20674ba61d3f2be4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-08i3-1690000000-4ec96eabcee084ff64e3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-0910000000-d66011660c05e9fa9b70
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]-184.6747822
predicted
DarkChem Lite v0.1.0
[M-H]-170.31831
predicted
DeepCCS 1.0 (2019)
[M+H]+185.1243822
predicted
DarkChem Lite v0.1.0
[M+H]+172.6763
predicted
DeepCCS 1.0 (2019)
[M+Na]+184.9023822
predicted
DarkChem Lite v0.1.0
[M+Na]+178.8324
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at February 21, 2021 18:54