NAV

Visnadine

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

Identification

Generic Name
Visnadine
DrugBank Accession Number
DB13355
Background

Not Available

Type
Small Molecule
Groups
Experimental, Investigational
Structure
3D
Similar Structures
Weight
Average: 388.416
Monoisotopic: 388.152203113
Chemical Formula
C21H24O7
Synonyms
  • Visnadine
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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.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
C04AX24 — Visnadine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Sub Class
Pyranocoumarins
Direct Parent
Angular pyranocoumarins
Alternative Parents
Pyranochromenes / 2,2-dimethyl-1-benzopyrans / Pyranones and derivatives / Fatty acid esters / Alkyl aryl ethers / Dicarboxylic acids and derivatives / Benzenoids / Heteroaromatic compounds / Lactones / Carboxylic acid esters
show 4 more
Substituents
1-benzopyran / 2,2-dimethyl-1-benzopyran / Alkyl aryl ether / Angular pyranocoumarin / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
coumarins (CHEBI:10001) / coumarins (C09316)
Affected organisms
Not Available

Chemical Identifiers

UNII
0RL4V0K263
CAS number
477-32-7
InChI Key
GVBNSPFBYXGREE-CXWAGAITSA-N
InChI
InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1
IUPAC Name
(9R,10R)-10-(acetyloxy)-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl (2R)-2-methylbutanoate
SMILES
[H][C@@](C)(CC)C(=O)O[C@]1([H])[C@]([H])(OC(C)=O)C2=C(OC1(C)C)C=CC1=C2OC(=O)C=C1

References

General References
Not Available
KEGG Compound
C09316
ChemSpider
390669
ChEBI
10001
ChEMBL
CHEMBL3989444
ZINC
ZINC000000608130
Wikipedia
Visnadine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMenopause / Vulvo Vaginal Atrophy1

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 Solubility0.0257 mg/mLALOGPS
logP3.59ALOGPS
logP3.38Chemaxon
logS-4.2ALOGPS
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area88.13 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity99.65 m3·mol-1Chemaxon
Polarizability39.98 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-2019000000-c90fabbc0ac243d22af5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0019000000-34884413262674040c32
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ba-6096000000-389393fe6b19501b4b55
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-9052000000-33227c508f593b0c8787
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dj-3795000000-c2e3eb06a173298e5bba
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0btc-9203000000-4c57f3ff4f0c76bc55e1
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]-201.7733161
predicted
DarkChem Lite v0.1.0
[M-H]-188.22478
predicted
DeepCCS 1.0 (2019)
[M+H]+202.2143161
predicted
DarkChem Lite v0.1.0
[M+H]+190.36589
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.2693161
predicted
DarkChem Lite v0.1.0
[M+Na]+196.27888
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54