Sinomenine

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

Identification

Generic Name
Sinomenine
DrugBank Accession Number
DB16892
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 329.396
Monoisotopic: 329.162708225
Chemical Formula
C19H23NO4
Synonyms
  • Coculine
  • Kukoline

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Sinomenine hydrochloride2J34HRJ45S6080-33-7YMEVIMJAUHZFMW-VUIDNZEBSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
63LT81K70N
CAS number
115-53-7
InChI Key
INYYVPJSBIVGPH-QHRIQVFBSA-N
InChI
InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
IUPAC Name
(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5,11-tetraen-13-one
SMILES
[H][C@]12C=C(OC)C(=O)C[C@]11CCN(C)[C@H]2CC2=C1C(O)=C(OC)C=C2

References

General References
Not Available
KEGG Compound
C09643
ChemSpider
10179905
BindingDB
50241298
ChEBI
9163
ChEMBL
CHEMBL248095
ZINC
ZINC000001280591
Wikipedia
Sinomenine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingTreatmentOsteoarthritis of the Knee1

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
logP1.27Chemaxon
pKa (Strongest Acidic)9.91Chemaxon
pKa (Strongest Basic)8.76Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area59 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity93 m3·mol-1Chemaxon
Polarizability34.65 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/MSsplash10-001i-0019000000-2d2577a2083fcc4ddf14
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-bad9807269c3f0b9d4af
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0049000000-4247c3da2e60f3d3ae43
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0069000000-d99dbc5034c292c93d68
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0piv-0092000000-0800e360312f021e6c5e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0092000000-da34bfb7abea1482113d
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]-185.4548654
predicted
DarkChem Lite v0.1.0
[M+H]+184.6078654
predicted
DarkChem Lite v0.1.0
[M+Na]+184.7118654
predicted
DarkChem Lite v0.1.0

Drug created at July 28, 2022 21:01 / Updated at December 13, 2022 10:46