Molecule structure of Sinorphan (CAS NO.112573-73-6) :

IUPAC Name: benzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate 
Molecular Weight: 385.47662 g/mol
Molecular Formula: C₂₁H₂₃NO₄S
Density: 1.206 g/cm³
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
Polarizability: 42.06×10^-24 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
Rotatable Bond Count: 11
Tautomer Count: 2
Exact Mass: 385.134779
MonoIsotopic Mass: 385.134779
Topological Polar Surface Area: 72.5
Heavy Atom Count: 27
Complexity: 485
Defined Atom StereoCenter Count: 1
Canonical SMILES: CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
Isomeric 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-/m1/s1
InChIKey of Sinorphan (CAS NO.112573-73-6) : ODUOJXZPIYUATO-LJQANCHMSA-N

A poison by intravenous route. When heated to decomposition it emits toxic vapors of NO_x and SO_x.

 Sinorphan (CAS NO.112573-73-6) is also called Ecadotril ; Ecadotril [USAN:INN] ; (S)-Acetophan ; (S)-N-(2-((Acetylthio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester ; BAY-y 7432 ; BP 1.02 ; Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, (S)- ; N-((S)-alpha-(Mercaptomethyl)hydrocinnamoyl)glycine, benzyl
ester, acetate (ester) ; N-(2-Acetylthiomethyl-1-oxo-3-phenylpropyl)glycine (S)(-)benzyl ester ; S 049 ; UNII-6XSR933SRK .