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Basic Information
CAS No.: 81110-73-8
Name: Racecadotril
Molecular Structure:
Molecular Structure of 81110-73-8 (Racecadotril)
Formula: C21H23NO4S
Molecular Weight: 385.484
Synonyms: Glycine,N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester, (?à)-;Acetorphan;Cadotril;Racecadotril;Redotil;Tiorfan;
EINECS: 688-010-7
Density: 1.206 g/cm3
Melting Point: 89 °C
Boiling Point: 574.5 °C at 760 mmHg
Flash Point: 301.2 °C
Appearance: White to off-white crystalline power
Hazard Symbols: Xn,N
Risk Codes: 22-50/53
Safety: 60-61
PSA: 97.77000
LogP: 3.37550
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    Product name: Racecadotril CAS No.：81110-73-8 Molecule Formula：C20H21NO5S Molecule Weight：387.45 Purity: 99.0% Package: 25kg/drum Description：White or off-white crystalline powder Manufacture Standards：Enterprise Standard

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Chemistry

Product Name: Racecodotril (CAS NO.81110-73-8)

Molecular Formula: C21H23NO4S
Molecular Weight: 385.476620 g/mol
Appearance:White crystal
Melting Point: 89°C
Density: 1.206
Boiling Point:  574.5 °C at 760 mmHg
Flash Point:  301.2 °C
Index of Refraction:  1.578 
Molar Refractivity:  106.1 cm3 
Molar Volume:  319.3 cm3 
Surface Tension: 49 dyne/cm
Enthalpy of Vaporization: 86.07 kJ/mol
Vapour Pressure: 3.34E-13 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Racecodotril (CAS NO.81110-73-8):
  IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
  Canonical 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
Product Categories: Antidiarrheal

Uses

 Racecodotril (CAS NO.81110-73-8) is antidiarrheal.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 77mg/kg (77mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 45, Pg. 186, 1993.

Specification

 Racecodotril , its CAS NO. is 81110-73-8, the synonyms are  (+-)-N-(2-((Acetylthio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester ; (+-)-N-(alpha-(Mercaptomethyl)hydrocinnamoyl)glycine, benzyl ester, acetate (ester) ; Acetorphan ; Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester .