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Dexecadotril

CAT: 0804-HY-114635-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114635-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dexecadotril (Retorphan) is a powerful and selective neprilysin (NEP) inhibitor. Dexecadotril is a prodrug of the R-enantiomers of Thiorphan. Dexecadotril shows intestinal antisecretatory action[1].
CAS Number
112573-72-5
Product Name Alternative
Retorphan
UNSPSC
12352005
Target
Neprilysin
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/dexecadotril.html
Smiles
O=C(OCC1=CC=CC=C1)CNC([C@H](CSC(C)=O)CC2=CC=CC=C2)=O
Molecular Formula
C21H23NO4S
Molecular Weight
385.48
References & Citations
[1]Thierry Monteil, et al. Strategies for access to enantiomerically pure ecadotril, dexecadotril and fasidotril: a review. Mini Rev Med Chem. 2002 Jun;2 (3) :209-17.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Dexecadotril

prodrug of thiorphan

CAS Number112573-72-5
PubChem CID3086546
IUPAC Namebenzyl 2-[[(2R)-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)SC[C@H](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)/t19-/m0/s1
InChIKey
ODUOJXZPIYUATO-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Dexecadotril
CAS: 112573-72-5
CID: 3086546
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19199309-01Dexecadotril

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