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81110-73-8

81110-73-8 structural image
Product Name: Racecadotril
Formula: C21H23NO4S
Synonyms: (±)-Acetorphan;(RS)-Benzyl N-[3-(acetylthio)-2-benzylpropanoyl]glycinate;Acetorphan;Cadotril;Redotil
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H400:Hazardous to the aquatic environment, acute hazard

COMPUTED DESCRIPTORS

Molecular Weight 385.5 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 385.13477939 g/mol
Monoisotopic Mass 385.13477939 g/mol
Topological Polar Surface Area 97.8 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 485
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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

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