1alpha-Hydroxyvitamin D5

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

Identification

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Name
1alpha-Hydroxyvitamin D5
Accession Number
DB13097
Type
Small Molecule
Groups
Investigational
Description

1alpha-Hydroxyvitamin D5 (CARD-024) has been used in trials studying the treatment of Drug Safety and Heart; Disease, Activity.

Structure
Thumb
Synonyms
  • 1-Hydroxyvitamin D5
  • 1alpha-Hydroxy-24-ethylcholecalciferol
External IDs
CARD-024 / LS-144738 / MN-201
Categories
UNII
XY02042OD4
CAS number
187935-17-7
Weight
Average: 428.701
Monoisotopic: 428.365430786
Chemical Formula
C29H48O2
InChI Key
NWFOBODUYTUMNC-VPSCEVSQSA-N
InChI
InChI=1S/C29H48O2/c1-7-22(19(2)3)11-10-20(4)26-14-15-27-23(9-8-16-29(26,27)6)12-13-24-17-25(30)18-28(31)21(24)5/h12-13,19-20,22,25-28,30-31H,5,7-11,14-18H2,1-4,6H3/b23-12+,24-13-/t20-,22-,25-,26-,27+,28+,29-/m1/s1
IUPAC Name
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C(C)C

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
DrugInteraction
AcetyldigitoxinThe risk or severity of ventricular arrhythmias and Cardiac Arrhythmia can be increased when 1alpha-Hydroxyvitamin D5 is combined with Acetyldigitoxin.
AcetyldigoxinThe risk or severity of ventricular arrhythmias and Cardiac Arrhythmia can be increased when 1alpha-Hydroxyvitamin D5 is combined with Acetyldigoxin.
AldosteroneThe therapeutic efficacy of 1alpha-Hydroxyvitamin D5 can be decreased when used in combination with Aldosterone.
AlfacalcidolThe risk or severity of adverse effects can be increased when Alfacalcidol is combined with 1alpha-Hydroxyvitamin D5.
Aluminum hydroxideThe serum concentration of Aluminum hydroxide can be increased when it is combined with 1alpha-Hydroxyvitamin D5.
Beclomethasone dipropionateThe therapeutic efficacy of 1alpha-Hydroxyvitamin D5 can be decreased when used in combination with Beclomethasone dipropionate.
BecocalcidiolThe risk or severity of adverse effects can be increased when Becocalcidiol is combined with 1alpha-Hydroxyvitamin D5.
BendroflumethiazideThe risk or severity of hypercalcemia can be increased when Bendroflumethiazide is combined with 1alpha-Hydroxyvitamin D5.
BenzthiazideThe risk or severity of hypercalcemia can be increased when Benzthiazide is combined with 1alpha-Hydroxyvitamin D5.
BetamethasoneThe therapeutic efficacy of 1alpha-Hydroxyvitamin D5 can be decreased when used in combination with Betamethasone.
Additional Data Available
  • Extended Description
    Extended Description

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Evidence Level

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10025615
PubChem Substance
347829221
ChemSpider
8201186

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentDrug Safety / Heart; Disease, Activity1

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 Solubility0.000923 mg/mLALOGPS
logP7ALOGPS
logP6.55ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)14.39ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area40.46 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity133.85 m3·mol-1ChemAxon
Polarizability54.09 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
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/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

Taxonomy

Description
This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Vitamin D and derivatives
Direct Parent
Vitamin D and derivatives
Alternative Parents
Triterpenoids / Secondary alcohols / Cyclic alcohols and derivatives / Hydrocarbon derivatives
Substituents
Triterpenoid / Cyclic alcohol / Secondary alcohol / Organic oxygen compound / Hydrocarbon derivative / Organooxygen compound / Alcohol / Aliphatic homopolycyclic compound
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 21:02 / Updated on May 01, 2019 11:38