Vinburnine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Vinburnine
DrugBank Accession Number
DB13793
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 294.398
Monoisotopic: 294.173213336
Chemical Formula
C19H22N2O
Synonyms
  • Vinburnina

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.
DrugInteraction
IloprostIloprost may increase the hypotensive activities of Vinburnine.
Isosorbide mononitrateVinburnine may increase the vasodilatory activities of Isosorbide mononitrate.
Patent BlueThe therapeutic efficacy of Vinburnine can be decreased when used in combination with Patent Blue.
Food Interactions
Not Available

Products

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Categories

ATC Codes
C04AX17 — Vinburnine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as eburnan-type alkaloids. These are alkaloids with a structure based on the eburnan skeleton, that arises from rearrangement of the aspidospermidine ring system, involving migration of C-21 from C-7 to C-2, fission of the 2,16-bond, and attachment of C-16 to N-1.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Eburnan-type alkaloids
Sub Class
Not Available
Direct Parent
Eburnan-type alkaloids
Alternative Parents
Indolonaphthyridine alkaloids / Beta carbolines / 3-alkylindoles / Naphthyridines / Aralkylamines / Piperidines / Benzenoids / Pyrroles / Heteroaromatic compounds / Trialkylamines
show 6 more
Substituents
3-alkylindole / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Beta-carboline / Diazanaphthalene / Eburna alkaloid / Heteroaromatic compound
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
alkaloid (CHEBI:4740) / Indole alkaloids (C09149)
Affected organisms
Not Available

Chemical Identifiers

UNII
G54D0HMY25
CAS number
4880-88-0
InChI Key
WYJAPUKIYAZSEM-MOPGFXCFSA-N
InChI
InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
IUPAC Name
(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraen-17-one
SMILES
[H][C@]12N3CCC[C@@]1(CC)CC(=O)N1C4=CC=CC=C4C(CC3)=C21

References

General References
Not Available
KEGG Compound
C09149
ChemSpider
64339
RxNav
57954
ChEBI
4740
ChEMBL
CHEMBL1892145
ZINC
ZINC000019796061
Wikipedia
Vinburnine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule
Capsule, extended release
Injection, solutionIntramuscular
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.175 mg/mLALOGPS
logP3.3ALOGPS
logP2.74Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)19.25Chemaxon
pKa (Strongest Basic)6.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area25.24 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity87.05 m3·mol-1Chemaxon
Polarizability33.67 Å3Chemaxon
Number of Rings5Chemaxon
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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-000b-2790000000-d9b39542541cd67b85fa
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000b-2790000000-d9b39542541cd67b85fa
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-c4ae309a29b4805338a2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-e794036d0ce3b38d27c3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-6e761015001abb8372a3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-1f19911698495fee1180
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0090000000-0acf3573be48cfb619d1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-481711bd1c336f0d3ea4
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]-174.6763375
predicted
DarkChem Lite v0.1.0
[M-H]-174.9655375
predicted
DarkChem Lite v0.1.0
[M-H]-177.9846
predicted
DeepCCS 1.0 (2019)
[M+H]+175.4433375
predicted
DarkChem Lite v0.1.0
[M+H]+175.7531375
predicted
DarkChem Lite v0.1.0
[M+H]+180.3426
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.0823375
predicted
DarkChem Lite v0.1.0
[M+Na]+175.4068375
predicted
DarkChem Lite v0.1.0
[M+Na]+186.43575
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at June 12, 2020 16:53