NAV

Nicomorphine

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

Identification

Generic Name
Nicomorphine
DrugBank Accession Number
DB13454
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 495.535
Monoisotopic: 495.179420917
Chemical Formula
C29H25N3O5
Synonyms
  • Nicomorphine
External IDs
  • IDS-NN-003
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when Nicomorphine is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Nicomorphine.
AcetophenazineThe risk or severity of hypotension and CNS depression can be increased when Acetophenazine is combined with Nicomorphine.
AclidiniumThe risk or severity of adverse effects can be increased when Aclidinium is combined with Nicomorphine.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Nicomorphine.
Food Interactions
Not Available

Categories

ATC Codes
N02AA04 — Nicomorphine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Morphinans
Sub Class
Not Available
Direct Parent
Morphinans
Alternative Parents
Phenanthrenes and derivatives / Tetralins / Pyridinecarboxylic acids / Coumarans / Alkyl aryl ethers / Aralkylamines / Piperidines / Dicarboxylic acids and derivatives / Heteroaromatic compounds / Trialkylamines
show 7 more
Substituents
Alkyl aryl ether / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxylic acid derivative / Carboxylic acid ester / Coumaran
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Y95FRL95FW
CAS number
639-48-5
InChI Key
HNDXBGYRMHRUFN-CIVUWBIHSA-N
InChI
InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29-/m0/s1
IUPAC Name
(1S,5R,13R,14S,17R)-4-methyl-14-(pyridine-3-carbonyloxy)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-10-yl pyridine-3-carboxylate
SMILES
[H][C@@]12OC3=C(OC(=O)C4=CN=CC=C4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])OC(=O)C1=CN=CC=C1

References

General References
Not Available
ChemSpider
4515048
ChEBI
135797
ChEMBL
CHEMBL2106851
ZINC
ZINC000004217095
Wikipedia
Nicomorphine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility0.0709 mg/mLALOGPS
logP3.27ALOGPS
logP3.22Chemaxon
logS-3.8ALOGPS
pKa (Strongest Basic)9.1Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area90.85 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity135.45 m3·mol-1Chemaxon
Polarizability51.11 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0a6r-4900000000-73e2fe57280a1f0bca5e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0902000000-6655dc0f9cdcc5559ca0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-3900300000-271a002fdccef540cb09
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0103-6159700000-6b07aa8d0d43c2d5e6af
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-6903300000-ade8144c708c2089a7b9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9100400000-e5e8b2556dfb9093c86b
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]-217.8577524
predicted
DarkChem Lite v0.1.0
[M-H]-215.68515
predicted
DeepCCS 1.0 (2019)
[M+H]+218.5122524
predicted
DarkChem Lite v0.1.0
[M+H]+217.58055
predicted
DeepCCS 1.0 (2019)
[M+Na]+217.8770524
predicted
DarkChem Lite v0.1.0
[M+Na]+223.39598
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:42 / Updated at February 21, 2021 18:54