Cyprenorphine

Identification

Generic Name
Cyprenorphine
DrugBank Accession Number
DB01480
Background

Not Available

Type
Small Molecule
Groups
Experimental, Illicit
Structure
Thumb
Weight
Average: 423.553
Monoisotopic: 423.240958547
Chemical Formula
C26H33NO4
Synonyms
  • Cyprenorphine

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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
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 / Azaspirodecane derivatives / Coumarans / Aralkylamines / Alkyl aryl ethers / 1-hydroxy-2-unsubstituted benzenoids / Piperidines / Tertiary alcohols / Trialkylamines
show 5 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / Alcohol / Alkyl aryl ether / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azaspirodecane / Benzenoid / Coumaran
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1P6HEG5ZHS
CAS number
4406-22-8
InChI Key
VSKIOMHXEUHYSI-KNLIIKEYSA-N
InChI
InChI=1S/C26H33NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-9,15,18-19,22,28-29H,4-5,10-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
IUPAC Name
(1R,2R,6S,14R,15R,19R)-3-(cyclopropylmethyl)-19-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7,9,11,16-tetraen-11-ol
SMILES
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@@]11C[C@]([H])(C(C)(C)O)[C@]2(OC)C=C1

References

General References
Not Available
PubChem Compound
20054882
PubChem Substance
46506801
ChemSpider
16735758
ChEMBL
CHEMBL2110789
ZINC
ZINC000004215495
Wikipedia
Cyprenorphine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0582 mg/mLALOGPS
logP3.33ALOGPS
logP2.13ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)10.35ChemAxon
pKa (Strongest Basic)9.54ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area62.16 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity119.33 m3·mol-1ChemAxon
Polarizability46.88 Å3ChemAxon
Number of Rings7ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9784
Blood Brain Barrier+0.9382
Caco-2 permeable+0.7004
P-glycoprotein substrateSubstrate0.9146
P-glycoprotein inhibitor IInhibitor0.5744
P-glycoprotein inhibitor IIInhibitor0.5786
Renal organic cation transporterInhibitor0.5456
CYP450 2C9 substrateNon-substrate0.8333
CYP450 2D6 substrateSubstrate0.8265
CYP450 3A4 substrateSubstrate0.7756
CYP450 1A2 substrateNon-inhibitor0.8816
CYP450 2C9 inhibitorNon-inhibitor0.8585
CYP450 2D6 inhibitorNon-inhibitor0.6282
CYP450 2C19 inhibitorNon-inhibitor0.7855
CYP450 3A4 inhibitorNon-inhibitor0.7875
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8723
Ames testNon AMES toxic0.7498
CarcinogenicityNon-carcinogens0.9437
BiodegradationNot ready biodegradable1.0
Rat acute toxicity3.0389 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.8131
hERG inhibition (predictor II)Non-inhibitor0.6056
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on July 31, 2007 13:09 / Updated on February 21, 2021 18:51