Visnadine
Star0
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
- Weight
- Average: 388.416
Monoisotopic: 388.152203113 - Chemical Formula
- C21H24O7
- Synonyms
- Visnadine
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.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
- External Links
- KEGG Compound
- C09316
- ChemSpider
- 390669
- ChEBI
- 10001
- ChEMBL
- CHEMBL3989444
- ZINC
- ZINC000000608130
- Wikipedia
- Visnadine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Menopause / Vulvo Vaginal Atrophy 1
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 0.0257 mg/mL ALOGPS logP 3.59 ALOGPS logP 3.38 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 88.13 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 99.65 m3·mol-1 Chemaxon Polarizability 39.98 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-2019000000-c90fabbc0ac243d22af5 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0019000000-34884413262674040c32 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00ba-6096000000-389393fe6b19501b4b55 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0007-9052000000-33227c508f593b0c8787 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03dj-3795000000-c2e3eb06a173298e5bba Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0btc-9203000000-4c57f3ff4f0c76bc55e1 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]- 201.7733161 predictedDarkChem Lite v0.1.0 [M-H]- 188.22478 predictedDeepCCS 1.0 (2019) [M+H]+ 202.2143161 predictedDarkChem Lite v0.1.0 [M+H]+ 190.36589 predictedDeepCCS 1.0 (2019) [M+Na]+ 202.2693161 predictedDarkChem Lite v0.1.0 [M+Na]+ 196.27888 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54