Methylprednisolone aceponate

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
Methylprednisolone aceponate
Accession Number
DB14643  (DBSALT002468)
Type
Small Molecule
Groups
Approved, Vet approved
Description
Not Available
Structure
Thumb
Synonyms
  • Aceponato de metilprednisolona
  • Methylprednisoloni aceponas
External IDs
BRN 5663614 / SH-440 / ZK91588
International/Other Brands
Advantan
Categories
UNII
ET54W9J4U2
CAS number
86401-95-8
Weight
Average: 472.578
Monoisotopic: 472.246103499
Chemical Formula
C27H36O7
InChI Key
DALKLAYLIPSCQL-YPYQNWSCSA-N
InChI
InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1
IUPAC Name
(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1-[2-(acetyloxy)acetyl]-10-hydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate
SMILES
[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C

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
DrugInteraction
(R)-warfarinThe therapeutic efficacy of (R)-warfarin can be increased when used in combination with Methylprednisolone aceponate.
(S)-WarfarinThe therapeutic efficacy of (S)-Warfarin can be increased when used in combination with Methylprednisolone aceponate.
1-TestosteroneThe risk or severity of edema formation can be increased when 1-Testosterone is combined with Methylprednisolone aceponate.
16-BromoepiandrosteroneThe risk or severity of edema formation can be increased when 16-Bromoepiandrosterone is combined with Methylprednisolone aceponate.
19-norandrostenedioneThe risk or severity of edema formation can be increased when 19-norandrostenedione is combined with Methylprednisolone aceponate.
1alpha-Hydroxyvitamin D5The therapeutic efficacy of 1alpha-Hydroxyvitamin D5 can be decreased when used in combination with Methylprednisolone aceponate.
4-hydroxycoumarinThe therapeutic efficacy of 4-hydroxycoumarin can be increased when used in combination with Methylprednisolone aceponate.
4-HydroxytestosteroneThe risk or severity of edema formation can be increased when 4-Hydroxytestosterone is combined with Methylprednisolone aceponate.
5-androstenedioneThe risk or severity of edema formation can be increased when 5-androstenedione is combined with Methylprednisolone aceponate.
AbediterolThe risk or severity of hypokalemia can be increased when Methylprednisolone aceponate is combined with Abediterol.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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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
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
56717
ChEBI
135762
ChEMBL
CHEMBL1697782
Wikipedia
Methylprednisolone_aceponate
ATC Codes
D07AC14 — Methylprednisolone aceponate

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.00637 mg/mLALOGPS
logP2.92ALOGPS
logP3.14ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)14.8ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area106.97 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity125.97 m3·mol-1ChemAxon
Polarizability50.86 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Pregnane steroids
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
Steroid esters / 20-oxosteroids / 3-oxo delta-1,4-steroids / 11-beta-hydroxysteroids / Delta-1,4-steroids / Alpha-acyloxy ketones / Dicarboxylic acids and derivatives / Secondary alcohols / Cyclic ketones / Cyclic alcohols and derivatives
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Substituents
Progestogin-skeleton / Steroid ester / 20-oxosteroid / 3-oxo-delta-1,4-steroid / 3-oxosteroid / 11-hydroxysteroid / 11-beta-hydroxysteroid / Oxosteroid / Hydroxysteroid / Delta-1,4-steroid
show 15 more
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on September 01, 2018 15:20 / Updated on May 01, 2019 12:02