Bucetin

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

Identification

Name
Bucetin
Accession Number
DB13278
Type
Small Molecule
Groups
Approved, Withdrawn
Description

Bucetin is an analgesic and antipyretic medication which was approved for use in Germany but was withdrawn from the market in 1986 due to renal toxicity caused by the medication [A175636].

Structure
Thumb
Synonyms
Not Available
Categories
UNII
6M7CVQ8PF8
CAS number
1083-57-4
Weight
Average: 223.272
Monoisotopic: 223.120843411
Chemical Formula
C12H17NO3
InChI Key
LIAWQASKBFCRNR-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
IUPAC Name
N-(4-ethoxyphenyl)-3-hydroxybutanamide
SMILES
CCOC1=CC=C(NC(=O)CC(C)O)C=C1

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
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

References

General References
Not Available
External Links
ChemSpider
13507
ChEBI
31311
ChEMBL
CHEMBL1697856
Wikipedia
Bucetin
ATC Codes
N02BE04 — BucetinN02BE74 — Bucetin, combinations with psycholepticsN02BE54 — Bucetin, combinations excl. psycholeptics

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 Solubility2.17 mg/mLALOGPS
logP1.39ALOGPS
logP1.25ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)14.58ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area58.56 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity62.95 m3·mol-1ChemAxon
Polarizability24.74 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 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 anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Anilides
Alternative Parents
Phenoxy compounds / Phenol ethers / N-arylamides / Alkyl aryl ethers / Fatty amides / Secondary carboxylic acid amides / Secondary alcohols / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Anilide / Phenoxy compound / Phenol ether / N-arylamide / Alkyl aryl ether / Fatty amide / Fatty acyl / Carboxamide group / Secondary alcohol / Secondary carboxylic acid amide
show 12 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:39 / Updated on June 12, 2020 10:53

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Logo pink
Stay in the know!
As part of our commitment to providing the most up-to-date drug information, we will be releasing #DrugBankUpdates with our newly added curated drug pages.
#DrugBankUpdates