
 S(-)-Pindolol

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.4193   -0.8079    1.0858 C   0  0  0  0  0
    2.7921   -0.1539    1.2732 C   0  0  0  0  0
    3.7924   -1.1965    1.7722 C   0  0  0  0  0
    3.1978    0.4391   -0.0117 N   0  0  0  0  0
    4.3688    1.3363    0.1183 C   0  0  0  0  0
    4.6097    2.0323   -1.2386 C   0  0  0  0  0
    5.8343    2.9542   -1.2412 C   0  0  0  0  0
    5.7188    3.9010   -0.1801 O   0  0  0  0  0
    6.0975    5.2018   -0.4769 C   0  0  0  0  0
    5.3476    6.1778    0.1989 C   0  0  0  0  0
    5.6231    7.5333    0.0454 C   0  0  0  0  0
    6.6656    7.9595   -0.7775 C   0  0  0  0  0
    7.4302    6.9804   -1.4254 C   0  0  0  0  0
    7.1859    5.6073   -1.2912 C   0  0  0  0  0
    8.1955    4.9510   -2.0592 C   0  0  0  0  0
    8.9834    5.9102   -2.6532 C   0  0  0  0  0
    8.5121    7.1330   -2.2639 N   0  0  0  0  0
    4.7558    1.0328   -2.2569 O   0  0  0  0  0
    0.6705   -0.0710    0.7735 H   0  0  0  0  0
    1.0699   -1.2527    2.0241 H   0  0  0  0  0
    1.4505   -1.6004    0.3293 H   0  0  0  0  0
    2.6828    0.6339    2.0290 H   0  0  0  0  0
    3.9641   -1.9773    1.0228 H   0  0  0  0  0
    3.4193   -1.6827    2.6807 H   0  0  0  0  0
    4.7569   -0.7438    2.0218 H   0  0  0  0  0
    2.4146    0.9922   -0.3675 H   0  0  0  0  0
    5.2525    0.7417    0.3733 H   0  0  0  0  0
    4.1980    2.0813    0.9027 H   0  0  0  0  0
    3.7234    2.6289   -1.4884 H   0  0  0  0  0
    5.8926    3.4247   -2.2302 H   0  0  0  0  0
    6.7479    2.3667   -1.0926 H   0  0  0  0  0
    4.5352    5.8679    0.8519 H   0  0  0  0  0
    5.0223    8.2677    0.5767 H   0  0  0  0  0
    6.8828    9.0166   -0.8933 H   0  0  0  0  0
    8.3331    3.8849   -2.1756 H   0  0  0  0  0
    9.8376    5.8267   -3.3115 H   0  0  0  0  0
    8.9039    8.0237   -2.5360 H   0  0  0  0  0
    4.1715    0.3001   -1.9696 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 18  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
S(-)-Pindolol

>  <PubChem CID>
688095

>  <Formula>
C14H20N2O2

>  <Molecular Weight>
248.326000

>  <IUPAC Name>
(2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=CC2=C1C=CN2)O

>  <Isomeric SMILES>
CC(C)NC[C@@H](COC1=CC=CC2=C1C=CN2)O

>  <InChI Std. ID>
InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3/t11-/m0/s1

>  <InChI Key>
JZQKKSLKJUAGIC-NSHDSACASA-N

