NAV

Dextrorphan

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

Identification

Generic Name
Dextrorphan
DrugBank Accession Number
DB14682
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 257.3706
Monoisotopic: 257.177964363
Chemical Formula
C17H23NO
Synonyms
  • (+)-dextrorphan
  • (+)-N-methylmorphinan-3-ol
  • d-3-hydroxy-N-methylmorphinan
  • Dextro-dromoran
  • Dextrorphan
  • Dextrorphane
  • Dextrorphanum
  • Levorphanol D-form
External IDs
  • RO 1-6794
  • RO-1-6794
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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

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
04B7QNO9WS
CAS number
125-73-5
InChI Key
JAQUASYNZVUNQP-PVAVHDDUSA-N
InChI
InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1
IUPAC Name
(1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol
SMILES
[H][C@]12CC3=C(C=C(O)C=C3)[C@@]3(CCCC[C@]13[H])CCN2C

References

General References
Not Available
Human Metabolome Database
HMDB0060552
ChemSpider
10489895
BindingDB
50001000
ChEBI
29133
ChEMBL
CHEMBL1254766
ZINC
ZINC000001280092
Wikipedia
Dextrorphan

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 Solubility0.173 mg/mLALOGPS
logP3.29ALOGPS
logP2.9Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)10.46Chemaxon
pKa (Strongest Basic)9.66Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity78.08 m3·mol-1Chemaxon
Polarizability29.79 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-02bf-0090000000-12982ec002fb66d8d254
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0a4i-1590000000-b308de853cbd22359927
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-f9a0195f22db8421eadb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-263b6e59d347ba2770f2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-08b2926ef013cb9f1d29
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0390000000-451533ccfa956638869d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052b-0590000000-4b01fc2213d465f8c7b2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-1950000000-c5ceb617e849cfc4d2f0
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]-166.4166924
predicted
DarkChem Lite v0.1.0
[M-H]-169.14603
predicted
DeepCCS 1.0 (2019)
[M+H]+166.1416924
predicted
DarkChem Lite v0.1.0
[M+H]+171.50403
predicted
DeepCCS 1.0 (2019)
[M+Na]+166.5775924
predicted
DarkChem Lite v0.1.0
[M+Na]+177.93642
predicted
DeepCCS 1.0 (2019)

Drug created at September 05, 2018 19:17 / Updated at February 21, 2021 18:54