Maxacalcitol

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

Identification

Name
Maxacalcitol
Accession Number
DB06272
Type
Small Molecule
Groups
Approved, Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
SCH 209579 / SCH-209579
International/Other Brands
Oxarol
Categories
UNII
N2UJM5NBF6
CAS number
103909-75-7
Weight
Average: 418.6093
Monoisotopic: 418.308309832
Chemical Formula
C26H42O4
InChI Key
DTXXSJZBSTYZKE-ZDQKKZTESA-N
InChI
InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1
IUPAC Name
(1R,3S,5Z)-5-{2-[(1S,3aS,4E,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
SMILES
[H]\C(\C(\[H])=C1/CCC[C@@]2(C)[C@@]1([H])CC[C@]2([H])[C@]([H])(C)OCCC(C)(C)O)=C1/C[C@@]([H])(O)C[C@]([H])(O)C1=C

Pharmacology

Indication
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
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Maxacalcitol.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Maxacalcitol.Experimental
AncestimThe risk or severity of cytotoxicity can be increased when Ancestim is combined with Maxacalcitol.Approved, Investigational, Withdrawn
BendroflumethiazideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Bendroflumethiazide.Approved
BenzthiazideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Benzthiazide.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Maxacalcitol.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Maxacalcitol.Approved
ChlorothiazideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Chlorothiazide.Approved, Vet Approved
ChlorthalidoneThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Chlorthalidone.Approved
CyclopenthiazideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Cyclopenthiazide.Experimental
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Maxacalcitol.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Maxacalcitol.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Maxacalcitol.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Maxacalcitol.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Maxacalcitol.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Maxacalcitol.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Maxacalcitol.Approved, Investigational
EpitizideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Epitizide.Experimental
GitoformateGitoformate may decrease the cardiotoxic activities of Maxacalcitol.Experimental
HydrochlorothiazideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Hydrochlorothiazide.Approved, Vet Approved
HydroflumethiazideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Hydroflumethiazide.Approved, Investigational
IndapamideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Indapamide.Approved
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Maxacalcitol.Experimental
MethyclothiazideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Methyclothiazide.Approved
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Maxacalcitol.Experimental
MetolazoneThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Metolazone.Approved
OleandrinOleandrin may decrease the cardiotoxic activities of Maxacalcitol.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Maxacalcitol.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Maxacalcitol.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Maxacalcitol.Experimental
PolythiazideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Polythiazide.Approved
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Maxacalcitol.Experimental
QuinethazoneThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Quinethazone.Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Maxacalcitol.Approved, Investigational
TrichlormethiazideThe risk or severity of hyperkalemia can be increased when Maxacalcitol is combined with Trichlormethiazide.Approved, Vet Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
4911262
BindingDB
50124417
ChEBI
31801
ChEMBL
CHEMBL333950
HET
MCZ
PDB Entries
3b0t

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Kidney Disease on Hemodialysis / Hyperparathyroidism, Secondary1
2CompletedTreatmentHemodialysis-dependent patients / Hyperparathyroidism, Secondary1
3CompletedTreatmentHemodialysis-dependent patients / Hyperparathyroidism, Secondary1

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 Solubility0.015 mg/mLALOGPS
logP4.5ALOGPS
logP2.79ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)14.34ChemAxon
pKa (Strongest Basic)-2.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area69.92 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity123.83 m3·mol-1ChemAxon
Polarizability50.09 Å3ChemAxon
Number of Rings3ChemAxon
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/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 / Tertiary alcohols / Secondary alcohols / Cyclic alcohols and derivatives / Dialkyl ethers / Hydrocarbon derivatives
Substituents
Triterpenoid / Tertiary alcohol / Cyclic alcohol / Secondary alcohol / Ether / Dialkyl ether / Organic oxygen compound / Hydrocarbon derivative / Organooxygen compound / Alcohol
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Vitamin D3 and derivatives (LMST03020060)

Drug created on March 19, 2008 10:20 / Updated on July 02, 2018 18:31