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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Diphenadione
Accession Number
DB13347
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
54CA01C6JX
CAS number
82-66-6
Weight
Average: 340.378
Monoisotopic: 340.109944375
Chemical Formula
C23H16O3
InChI Key
JYGLAHSAISAEAL-UHFFFAOYSA-N
InChI
InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
IUPAC Name
2-(2,2-diphenylacetyl)-2,3-dihydro-1H-indene-1,3-dione
SMILES
O=C(C(C1=CC=CC=C1)C1=CC=CC=C1)C1C(=O)C2=CC=CC=C2C1=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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
(1,2,6,7-3H)Testosterone(1,2,6,7-3H)Testosterone may increase the anticoagulant activities of Diphenadione.
1-Testosterone1-Testosterone may increase the anticoagulant activities of Diphenadione.
18-methyl-19-nortestosterone18-methyl-19-nortestosterone may increase the anticoagulant activities of Diphenadione.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when 2,5-Dimethoxy-4-ethylthioamphetamine is combined with Diphenadione.
25-desacetylrifapentineThe risk or severity of bleeding can be increased when 25-desacetylrifapentine is combined with Diphenadione.
3,5-Diiodotyrosine3,5-Diiodotyrosine may increase the anticoagulant activities of Diphenadione.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Diphenadione.
4-Hydroxytestosterone4-Hydroxytestosterone may increase the anticoagulant activities of Diphenadione.
5-fluorouridineThe risk or severity of bleeding can be increased when 5-fluorouridine is combined with Diphenadione.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when 5-methoxy-N,N-dimethyltryptamine is combined with Diphenadione.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

    Learn more
  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

    Learn more
  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C18698
ChemSpider
6463
ChEBI
81896
ChEMBL
CHEMBL1413199
Wikipedia
Diphenadione
ATC Codes
B01AA10 — Diphenadione

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.000755 mg/mLALOGPS
logP4.46ALOGPS
logP4.78ChemAxon
logS-5.6ALOGPS
pKa (Strongest Acidic)4.18ChemAxon
pKa (Strongest Basic)-7.4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area51.21 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity99.8 m3·mol-1ChemAxon
Polarizability35.39 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Indanediones / Aryl alkyl ketones / Beta-diketones / Organic oxides / Hydrocarbon derivatives
Substituents
Diphenylmethane / Indanedione / Indanone / Indane / Aryl alkyl ketone / Aryl ketone / 1,3-diketone / 1,3-dicarbonyl compound / Ketone / Organic oxygen compound
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
diarylmethane (CHEBI:81896) / Pesticides (C18698)

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Zimmerlin A, Trunzer M, Faller B: CYP3A time-dependent inhibition risk assessment validated with 400 reference drugs. Drug Metab Dispos. 2011 Jun;39(6):1039-46. doi: 10.1124/dmd.110.037911. Epub 2011 Mar 7. [PubMed:21383203]

Drug created on June 23, 2017 14:40 / Updated on November 02, 2019 03:10