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Racecadotril

CAT: 0013-GTR19162434-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162434-02Size:200 mg
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Description
Racecadotril, also known as acetorphan, is an antidiarrheal drug which acts as a peripherally acting enkephalinase inhibitor. (In Vivo) :In mice, following i.v. administration, Racecadotril is rapidly metabolized to Thiorphan; thus, 30 min after the injection only Thiorphan is recovered from the kidney whereas the parent compound Racecadotril is not detected.In rats 92% of a single-dose (10 mg/kg) of radioactively labeled Racecadotril is eliminated within 24 h.Racecadotril is a neutral endopeptidase (NEP) inhibitor with known antidiarrheal activity in animals. Orally administered Racecadotril (100 mg/kg) shows efficacy in a rat model of castor oil-induced diarrhea.
CAS Number
81110-73-8
Product Name Alternative
Acetorphan
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 22mg/ml (57.07 mM) ; Water: <1mg/ml; Ethanol: 77mg/ml (199.75 mM)
Smiles
CC (=O) SCC (CC1=CC=CC=C1) C (=O) NCC (=O) OCC1=CC=CC=C1
Molecular Formula
C21H23NO4S
Molecular Weight
385.49
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzyl (3- (acetylthio) -2-benzylpropanoyl) glycinate

Chemical Information

Racecadotril

2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid (phenylmethyl) ester is a N-acyl-amino acid.

CAS Number81110-73-8
PubChem CID107751
IUPAC Namebenzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
Molecular FormulaC21H23NO4S
Molecular Weight385.5
XLogP3.3
Topological Polar Surface Area97.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity485
SMILES
CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
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)
InChIKey
ODUOJXZPIYUATO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Racecadotril
CAS: 81110-73-8
CID: 107751
Formula: C21H23NO4S
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass385.13477939
Monoisotopic Mass385.13477939
Topological Polar Surface Area97.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1649-5.1Racecadotril

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