Eltanolone

Identification

Generic Name

Eltanolone

DrugBank Accession Number

DB12308

Background

Eltanolone is under investigation in clinical trial NCT02603926 (Treatment of Fragile-X Associated Tremor/Ataxia Syndrome (FXTAS) With Allopregnanolone).

Type

Small Molecule

Groups

Investigational

Structure

3D

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MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Eltanolone (DB12308)

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Weight

Average: 318.501
Monoisotopic: 318.255880335

Chemical Formula

C₂₁H₃₄O₂

Synonyms

• eltanolona
• Eltanolone
• Pregnanolone

External IDs

• KABI 2213
• KABI-2213
• NSC-82867
• SKF-6455

Pharmacology

Indication

Not Available

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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

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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.

• Approved
• Vet approved
• Nutraceutical
• Illicit
• Withdrawn
• Investigational
• Experimental
• All Drugs

Drug	Interaction
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1,2-Benzodiazepine	The risk or severity of adverse effects can be increased when Eltanolone is combined with 1,2-Benzodiazepine.
Acetazolamide	The risk or severity of adverse effects can be increased when Acetazolamide is combined with Eltanolone.
Acetophenazine	The risk or severity of adverse effects can be increased when Acetophenazine is combined with Eltanolone.
Agomelatine	The risk or severity of adverse effects can be increased when Agomelatine is combined with Eltanolone.
Alfentanil	The risk or severity of adverse effects can be increased when Alfentanil is combined with Eltanolone.
Alimemazine	The risk or severity of adverse effects can be increased when Alimemazine is combined with Eltanolone.
Almotriptan	The risk or severity of adverse effects can be increased when Almotriptan is combined with Eltanolone.
Alosetron	The risk or severity of adverse effects can be increased when Alosetron is combined with Eltanolone.
Alprazolam	The risk or severity of adverse effects can be increased when Alprazolam is combined with Eltanolone.
Alverine	The risk or severity of adverse effects can be increased when Alverine is combined with Eltanolone.

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Food Interactions

Not Available

Categories

Drug Categories

• Anesthetics
• Central Nervous System Agents
• Central Nervous System Depressants
• Fused-Ring Compounds
• Pregnanes
• Steroids

Chemical TaxonomyProvided by Classyfire

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

20-oxosteroids / 3-alpha-hydroxysteroids / Secondary alcohols / Ketones / Cyclic alcohols and derivatives / Organic oxides / Hydrocarbon derivatives

Substituents

20-oxosteroid / 3-alpha-hydroxysteroid / 3-hydroxysteroid / Alcohol / Aliphatic homopolycyclic compound / Carbonyl group / Cyclic alcohol / Hydrocarbon derivative / Hydroxysteroid / Ketone

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

3alpha-hydroxy steroid, 3-hydroxy-5beta-pregnan-20-one (CHEBI:1712) / C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives (LMST02030175)

Affected organisms

Not Available

Chemical Identifiers

UNII

BXO86P3XXW

CAS number

128-20-1

InChI Key

AURFZBICLPNKBZ-YZRLXODZSA-N

InChI

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1

IUPAC Name

1-[(1S,2S,5R,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C

References

General References

Not Available

External Links

Human Metabolome Database

HMDB0062782

PubChem Compound

31402

PubChem Substance

347828573

ChemSpider

29132

ChEBI

1712

ChEMBL

CHEMBL210952

ZINC

ZINC000003800039

PDBe Ligand

P9N

Wikipedia

Pregnanolone

PDB Entries

5o8f

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

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

Property	Value	Source
Water Solubility	0.00136 mg/mL	ALOGPS
logP	4.28	ALOGPS
logP	3.99	Chemaxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	18.3	Chemaxon
pKa (Strongest Basic)	-1.4	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	1	Chemaxon
Polar Surface Area	37.3 Å2	Chemaxon
Rotatable Bond Count	1	Chemaxon
Refractivity	92.91 m3·mol-1	Chemaxon
Polarizability	38.36 Å3	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	Yes	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	Not Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	Not Available

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Drug created at October 20, 2016 21:53 / Updated at February 21, 2021 18:53