Racecadotril

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

Identification

Name
Racecadotril
Accession Number
DB11696
Type
Small Molecule
Groups
Investigational
Description

Racecadotril has been investigated for the basic science and treatment of Diarrhea, Acute Diarrhea, and Acute Gastroenteritis.

Structure
Thumb
Synonyms
  • Racecadotrilo
Categories
UNII
76K53XP4TO
CAS number
81110-73-8
Weight
Average: 385.48
Monoisotopic: 385.134779399
Chemical Formula
C21H23NO4S
InChI Key
ODUOJXZPIYUATO-UHFFFAOYSA-N
InChI
InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
IUPAC Name
benzyl 2-{2-[(acetylsulfanyl)methyl]-3-phenylpropanamido}acetate
SMILES
CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC1=CC=CC=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
DrugInteraction
PitavastatinThe serum concentration of Pitavastatin can be decreased when it is combined with Racecadotril.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
107751
PubChem Substance
347828061
ChemSpider
96913
ChEBI
91508
ChEMBL
CHEMBL2103772
Wikipedia
Racecadotril
ATC Codes
A07XA04 — Racecadotril

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Male Volunteers1
1CompletedBasic ScienceAntidiarrheals1
1CompletedBasic ScienceSevere or persistent diarrhea1
3CompletedTreatmentSevere or persistent diarrhea1
4CompletedTreatmentAcute Diarrhoea / Acute Gastroenteritis1

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 Solubility0.00176 mg/mLALOGPS
logP2.72ALOGPS
logP3.17ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)12.6ChemAxon
pKa (Strongest Basic)-2.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area72.47 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity106 m3·mol-1ChemAxon
Polarizability40.84 Å3ChemAxon
Number of Rings2ChemAxon
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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-014l-1295000000-b84f3c2b1498077b2476
MS/MS Spectrum - , positiveLC-MS/MSsplash10-014l-1395000000-c4e257557748aee5583a

Taxonomy

Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid esters / Benzyloxycarbonyls / Thioesters / Carboxylic acid esters / Carbothioic S-esters / Sulfenyl compounds / Propargyl-type 1,3-dipolar organic compounds / Monocarboxylic acids and derivatives / Carboximidic acids / Organopnictogen compounds
show 4 more
Substituents
Alpha-amino acid ester / N-acyl-alpha amino acid or derivatives / Benzyloxycarbonyl / Monocyclic benzene moiety / Benzenoid / Carboxylic acid ester / Carbothioic s-ester / Thiocarboxylic acid ester / Carboximidic acid / Carboximidic acid derivative
show 15 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:40 / Updated on November 05, 2018 17:49