NAV

Butanilicaine

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

Identification

Generic Name
Butanilicaine
DrugBank Accession Number
DB13328
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 254.76
Monoisotopic: 254.1185909
Chemical Formula
C13H19ClN2O
Synonyms
  • 2-(Butylamino)-6'-chloro-o-acetoluidide
  • 2-(Butylamino)-N-(2-chloro-6-methylphenyl)acetamide
  • 2-Butylamino-6'-chloro-o-acetotoluidide
  • Butacetoluide
  • Butanilicaina
  • Butanilicaine
  • Butanilicainum
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AbemaciclibThe risk or severity of methemoglobinemia can be increased when Abemaciclib is combined with Butanilicaine.
AbirateroneThe risk or severity of methemoglobinemia can be increased when Abiraterone is combined with Butanilicaine.
AcetaminophenThe risk or severity of methemoglobinemia can be increased when Acetaminophen is combined with Butanilicaine.
AcetazolamideThe risk or severity of methemoglobinemia can be increased when Acetazolamide is combined with Butanilicaine.
Acetic acidThe risk or severity of methemoglobinemia can be increased when Acetic acid is combined with Butanilicaine.
Food Interactions
Not Available

Categories

ATC Codes
N01BB05 — Butanilicaine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Anilides / N-arylamides / Toluenes / Chlorobenzenes / Aryl chlorides / Secondary carboxylic acid amides / Dialkylamines / Organopnictogen compounds / Organochlorides / Organic oxides
show 2 more
Substituents
Alpha-amino acid amide / Amine / Anilide / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Benzenoid / Carbonyl group / Carboxamide group / Chlorobenzene
show 16 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
amino acid amide, monochlorobenzenes (CHEBI:55518)
Affected organisms
Not Available

Chemical Identifiers

UNII
7X3WV51F4N
CAS number
3785-21-5
InChI Key
VWYQKFLLGRBICZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)
IUPAC Name
2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide
SMILES
CCCCNCC(=O)NC1=C(C)C=CC=C1Cl

References

General References
Not Available
KEGG Drug
D07284
ChemSpider
21004
ChEBI
55518
ChEMBL
CHEMBL2104238
ZINC
ZINC000001841441
Wikipedia
Butanilicaine

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 Solubility0.0665 mg/mLALOGPS
logP2.69ALOGPS
logP3.16Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)12.3Chemaxon
pKa (Strongest Basic)8.69Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area41.13 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity72.77 m3·mol-1Chemaxon
Polarizability28.15 Å3Chemaxon
Number of Rings1Chemaxon
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-MSsplash10-000f-4900000000-41a346715110b89431ad
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-2190000000-9e392a69be67a8119df1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-3490000000-7587af999bbc1d03a2e9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9200000000-0665825f59d94c396ec7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-9320000000-47d96b182f8394a76316
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-053r-9200000000-c95bf47fc490e575ed40
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9410000000-742b95234903a6e5b083
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]-157.17668
predicted
DeepCCS 1.0 (2019)
[M+H]+159.53468
predicted
DeepCCS 1.0 (2019)
[M+Na]+167.51228
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54