NAV

Acetylleucine

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

Identification

Generic Name
Acetylleucine
DrugBank Accession Number
DB13226
Background

Used for treating vestibular-related imbalance and vertigo.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 173.212
Monoisotopic: 173.105193347
Chemical Formula
C8H15NO3
Synonyms
  • (R,S)-N-Acetylleucin
  • Acetileucina
  • Acetylleucine
  • Acetylleucinum
  • N-Acetyl-DL-Leucine
External IDs
  • RP 7452
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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.
Not Available
Food Interactions
Not Available

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International/Other Brands
Tanganil

Categories

ATC Codes
N07CA04 — Acetylleucine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Leucine and derivatives
Alternative Parents
N-acyl-alpha amino acids / Methyl-branched fatty acids / Acetamides / Secondary carboxylic acid amides / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Acetamide / Aliphatic acyclic compound / Branched fatty acid / Carbonyl group / Carboxamide group / Carboxylic acid / Fatty acid / Fatty acyl / Hydrocarbon derivative / Leucine or derivatives
show 11 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
K76S41V71X
CAS number
99-15-0
InChI Key
WXNXCEHXYPACJF-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
IUPAC Name
2-acetamido-4-methylpentanoic acid
SMILES
CC(C)CC(NC(C)=O)C(O)=O

References

General References
Not Available
ChemSpider
1918
ChEBI
166830
ChEMBL
CHEMBL1875805
Wikipedia
Acetylleucine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility10.9 mg/mLALOGPS
logP0.78ALOGPS
logP0.49Chemaxon
logS-1.2ALOGPS
pKa (Strongest Acidic)4.2Chemaxon
pKa (Strongest Basic)-1.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.4 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity43.61 m3·mol-1Chemaxon
Polarizability18.29 Å3Chemaxon
Number of Rings0Chemaxon
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-MSsplash10-0006-9100000000-4999ecbfbc380c7cad3a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-003i-9400000000-975375d0d4f4dd3d6cb6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0900000000-e4c2293439cae58abdb8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0019-9000000000-5043bdff4b15ebce31ac
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-1900000000-5b5ccb4f6ae4dcc6174c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kf-9000000000-9859b9321ed442a189aa
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-ec7647a88b1af93da33b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-136.12831
predicted
DeepCCS 1.0 (2019)
[M+H]+139.98611
predicted
DeepCCS 1.0 (2019)
[M+Na]+149.3287
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at December 01, 2022 11:28