Canrenone

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

Identification

Name
Canrenone
Accession Number
DB12221
Type
Small Molecule
Groups
Investigational
Description

Canrenone has been used in trials studying the diagnostic of Heart Failure.

Structure
Thumb
Synonyms
Not Available
External IDs
SC-9376
Categories
UNII
78O20X9J0U
CAS number
976-71-6
Weight
Average: 340.4559
Monoisotopic: 340.203844762
Chemical Formula
C22H28O3
InChI Key
UJVLDDZCTMKXJK-WNHSNXHDSA-N
InChI
InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
IUPAC Name
(1'S,2R,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane]-6',8'-diene-5,5'-dione
SMILES

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with Canrenone.Approved, Illicit
AlphacetylmethadolThe risk or severity of adverse effects can be increased when Alphacetylmethadol is combined with Canrenone.Experimental, Illicit
AlphaprodineThe risk or severity of adverse effects can be increased when Alphaprodine is combined with Canrenone.Illicit
BezitramideThe risk or severity of adverse effects can be increased when Bezitramide is combined with Canrenone.Experimental, Illicit, Withdrawn
BuprenorphineThe risk or severity of adverse effects can be increased when Buprenorphine is combined with Canrenone.Approved, Illicit, Investigational, Vet Approved
ButorphanolThe risk or severity of adverse effects can be increased when Butorphanol is combined with Canrenone.Approved, Illicit, Vet Approved
CarfentanilThe risk or severity of adverse effects can be increased when Carfentanil is combined with Canrenone.Illicit, Investigational, Vet Approved
CodeineThe risk or severity of adverse effects can be increased when Codeine is combined with Canrenone.Approved, Illicit
DextromoramideThe risk or severity of adverse effects can be increased when Dextromoramide is combined with Canrenone.Experimental, Illicit
DextropropoxypheneThe risk or severity of adverse effects can be increased when Dextropropoxyphene is combined with Canrenone.Approved, Illicit, Investigational, Withdrawn
DezocineThe risk or severity of adverse effects can be increased when Dezocine is combined with Canrenone.Approved, Investigational
DihydrocodeineThe risk or severity of adverse effects can be increased when Dihydrocodeine is combined with Canrenone.Approved, Illicit
DihydroetorphineThe risk or severity of adverse effects can be increased when Dihydroetorphine is combined with Canrenone.Experimental, Illicit
DihydromorphineThe risk or severity of adverse effects can be increased when Dihydromorphine is combined with Canrenone.Experimental, Illicit
DiphenoxylateThe risk or severity of adverse effects can be increased when Diphenoxylate is combined with Canrenone.Approved, Illicit
DPDPEThe risk or severity of adverse effects can be increased when DPDPE is combined with Canrenone.Experimental
EthylmorphineThe risk or severity of adverse effects can be increased when Ethylmorphine is combined with Canrenone.Approved, Illicit
EtorphineThe risk or severity of adverse effects can be increased when Etorphine is combined with Canrenone.Illicit, Vet Approved
FentanylThe risk or severity of adverse effects can be increased when Fentanyl is combined with Canrenone.Approved, Illicit, Investigational, Vet Approved
HeroinThe risk or severity of adverse effects can be increased when Heroin is combined with Canrenone.Approved, Illicit, Investigational
HydrocodoneThe risk or severity of adverse effects can be increased when Hydrocodone is combined with Canrenone.Approved, Illicit
HydromorphoneThe risk or severity of adverse effects can be increased when Hydromorphone is combined with Canrenone.Approved, Illicit
KetobemidoneThe risk or severity of adverse effects can be increased when Ketobemidone is combined with Canrenone.Approved, Investigational
Levomethadyl AcetateThe risk or severity of adverse effects can be increased when Levomethadyl Acetate is combined with Canrenone.Approved, Investigational
LevorphanolThe risk or severity of adverse effects can be increased when Levorphanol is combined with Canrenone.Approved
LofentanilThe risk or severity of adverse effects can be increased when Lofentanil is combined with Canrenone.Illicit
MeptazinolThe risk or severity of adverse effects can be increased when Meptazinol is combined with Canrenone.Experimental
MethadoneThe risk or severity of adverse effects can be increased when Methadone is combined with Canrenone.Approved
Methadyl AcetateThe risk or severity of adverse effects can be increased when Methadyl Acetate is combined with Canrenone.Approved, Illicit
MorphineThe risk or severity of adverse effects can be increased when Morphine is combined with Canrenone.Approved, Investigational
NalbuphineThe risk or severity of adverse effects can be increased when Nalbuphine is combined with Canrenone.Approved
NicomorphineThe risk or severity of adverse effects can be increased when Nicomorphine is combined with Canrenone.Experimental
NormethadoneThe risk or severity of adverse effects can be increased when Normethadone is combined with Canrenone.Approved, Illicit
OpiumThe risk or severity of adverse effects can be increased when Opium is combined with Canrenone.Approved, Illicit
OxycodoneThe risk or severity of adverse effects can be increased when Oxycodone is combined with Canrenone.Approved, Illicit, Investigational
OxymorphoneThe risk or severity of adverse effects can be increased when Oxymorphone is combined with Canrenone.Approved, Investigational, Vet Approved
PentazocineThe risk or severity of adverse effects can be increased when Pentazocine is combined with Canrenone.Approved, Vet Approved
PethidineThe risk or severity of adverse effects can be increased when Pethidine is combined with Canrenone.Approved
PhenazocineThe risk or severity of adverse effects can be increased when Phenazocine is combined with Canrenone.Experimental
PhenoperidineThe risk or severity of adverse effects can be increased when Phenoperidine is combined with Canrenone.Experimental
PiritramideThe risk or severity of adverse effects can be increased when Piritramide is combined with Canrenone.Investigational
RemifentanilThe risk or severity of adverse effects can be increased when Remifentanil is combined with Canrenone.Approved
Sodium phosphateCanrenone may increase the nephrotoxic activities of Sodium phosphate.Approved
SufentanilThe risk or severity of adverse effects can be increased when Sufentanil is combined with Canrenone.Approved, Investigational
TapentadolThe risk or severity of adverse effects can be increased when Tapentadol is combined with Canrenone.Approved
TilidineThe risk or severity of adverse effects can be increased when Tilidine is combined with Canrenone.Experimental
TramadolThe risk or severity of adverse effects can be increased when Tramadol is combined with Canrenone.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB03033
PubChem Compound
13789
PubChem Substance
347828500
ChemSpider
13192
ChEBI
135445
ChEMBL
CHEMBL1463345
ATC Codes
C03DA03 — Canrenone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedDiagnosticHeart Failure, Unspecified1

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 Solubility0.0042 mg/mLALOGPS
logP2.79ALOGPS
logP3.6ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)19.94ChemAxon
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area43.37 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity97.48 m3·mol-1ChemAxon
Polarizability38.77 Å3ChemAxon
Number of Rings5ChemAxon
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 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
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0a4j-2910000000-895da7d842991e1f2631
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0a4i-3900000000-44a9709cabb5e8f1da5d
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0079-0962000000-d3aa34556f83b16405c8
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-05tr-0962000000-924d636ff93f46fb7ccc
1H NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Steroid lactones
Direct Parent
Steroid lactones
Alternative Parents
3-oxosteroids / Cyclohexenones / Gamma butyrolactones / Tetrahydrofurans / Carboxylic acid esters / Oxacyclic compounds / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives
Substituents
Steroid lactone / 3-oxosteroid / Oxosteroid / Cyclohexenone / Gamma butyrolactone / Tetrahydrofuran / Cyclic ketone / Lactone / Ketone / Carboxylic acid ester
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:39 / Updated on November 09, 2017 05:04