NAV

Phenazocine

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

Identification

Generic Name
Phenazocine
DrugBank Accession Number
DB13606
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 321.464
Monoisotopic: 321.209264493
Chemical Formula
C22H27NO
Synonyms
Not Available
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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.
DrugInteraction
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1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when Phenazocine is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Phenazocine.
AcetophenazineThe risk or severity of hypotension and CNS depression can be increased when Acetophenazine is combined with Phenazocine.
AclidiniumThe risk or severity of adverse effects can be increased when Aclidinium is combined with Phenazocine.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Phenazocine.
Food Interactions
Not Available

Categories

ATC Codes
N02AD02 — Phenazocine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 2,6-dimethyl-3-benzazocines. These are aromatic compounds containing a 6,7-benzomorphan skeleton, which is substituted by methyl group at the 2- and 6-positions.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
6,7-benzomorphans
Sub Class
2,6-dimethyl-3-benzazocines
Direct Parent
2,6-dimethyl-3-benzazocines
Alternative Parents
4-hydroxy-6,7-benzomorphans / Benzazocines / Tetralins / Phenethylamines / Aralkylamines / 1-hydroxy-2-unsubstituted benzenoids / Piperidines / Trialkylamines / Azacyclic compounds / Organopnictogen compounds
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Substituents
1-hydroxy-2-unsubstituted benzenoid / 2,6-dimethyl-3-benzazocine / 4-hydroxy-6,7-benzomorphan / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzazocine / Benzenoid / Hydrocarbon derivative
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
benzazocine (CHEBI:8056)
Affected organisms
Not Available

Chemical Identifiers

UNII
J0ND6N0AQC
CAS number
58073-76-0
InChI Key
ZQHYKVKNPWDQSL-KNXBSLHKSA-N
InChI
InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m0/s1
IUPAC Name
(1R,9R,13R)-1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-4-ol
SMILES
C[C@H]1[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2CCC1=CC=CC=C1

References

General References
Not Available
KEGG Compound
C11790
ChemSpider
391631
RxNav
8119
ChEBI
8056
ChEMBL
CHEMBL316632
ZINC
ZINC000001481896
Wikipedia
Phenazocine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00743 mg/mLALOGPS
logP4.93ALOGPS
logP4.08Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)9.96Chemaxon
pKa (Strongest Basic)10.86Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity100.05 m3·mol-1Chemaxon
Polarizability37.92 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-00di-0049000000-efe7272aa7dc1e333173
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0249000000-44590290101b5724437d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-587bac9a29045f8357ae
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9532000000-b49ecadefc3a9696588b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-0914000000-0d1162c6929dca7d723e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxr-1190000000-e4dfe15e4e1cdf88944b
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]-178.85605
predicted
DeepCCS 1.0 (2019)
[M+H]+181.21404
predicted
DeepCCS 1.0 (2019)
[M+Na]+187.89012
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:45 / Updated at June 12, 2020 16:53