NAV

Adiphenine

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

Identification

Generic Name
Adiphenine
DrugBank Accession Number
DB15795
Background

Not Available

Type
Small Molecule
Groups
Approved, Withdrawn
Structure
3D
Similar Structures
Weight
Average: 311.425
Monoisotopic: 311.188529049
Chemical Formula
C20H25NO2
Synonyms
  • Adiphenine
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Adiphenine hydrochloride42B4PDY0AV50-42-0LKPINBXAWIMZCG-UHFFFAOYSA-N
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
SPASMO-PANALGINE 125 MG 10 SUPOZITUARAdiphenine (25 mg) + Acetaminophen (125 mg) + Allobarbital (30 mg)SuppositoryTÜRK EĞİTİM VAKFI1963-01-21Not applicableTurkey flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
YKG6OR043Q
CAS number
64-95-9
InChI Key
JGOAIQNSOGZNBX-UHFFFAOYSA-N
InChI
InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
IUPAC Name
2-(diethylamino)ethyl 2,2-diphenylacetate
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
1953
BindingDB
50395519
RxNav
333
ChEBI
94680
ChEMBL
CHEMBL353846
ZINC
ZINC000001717372
Wikipedia
Adiphenine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Suppository
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0126 mg/mLALOGPS
logP4.23ALOGPS
logP4.17Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)8.96Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area29.54 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity94.32 m3·mol-1Chemaxon
Polarizability36.4 Å3Chemaxon
Number of Rings2Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0519000000-8d37a03a439c0c56dede
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gba-5900000000-2607dc8c65965fd9f046
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-02t9-2925000000-af4e2b2080d6d8791cb8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-4900000000-d234fe1460e57afac31c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1920000000-39a34953eee6525416b1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1900000000-c252d66a77415a73d68d
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]-186.2301086
predicted
DarkChem Lite v0.1.0
[M-H]-171.09732
predicted
DeepCCS 1.0 (2019)
[M+H]+187.9564086
predicted
DarkChem Lite v0.1.0
[M+H]+173.45534
predicted
DeepCCS 1.0 (2019)
[M+Na]+187.4565086
predicted
DarkChem Lite v0.1.0
[M+Na]+179.54848
predicted
DeepCCS 1.0 (2019)

Drug created at August 31, 2020 17:20 / Updated at May 22, 2021 06:08