I06-0039 Racecadotril (CAS# 81110-73-8)

General Information
Catalog No.:	I06-0039
Synonym:	N-[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]-glycine phenylmethyl ester; Acetorphan; Tiorfan
Cas#:	81110-73-8
MDL# :	MFCD00865520
Molecular Formula:	C21H23NO4S
Mole Weight:	385.48

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O=C(OCC1=CC=CC=C1)CNC(C(CSC(C)=O)CC2=CC=CC=C2)=O
  CDK  02091208292D

27 28  0  0  0  0            999 V2000
    0.3488   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589   -4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990   -3.5468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889   -5.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589   -6.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -6.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913   -6.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -7.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5415   -7.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8116   -6.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4614   -6.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -6.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2391   -7.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5091   -5.8855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -6.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593   -5.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -4.6382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695   -5.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2096   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197   -5.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5598   -4.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3699   -4.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6400   -5.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999   -6.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2897   -5.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
M  END

I06-0039 Racecadotril (CAS# 81110-73-8)

General Information

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