
 (R,S)-(-)-fenoterol

 43 44  0  0  0  0  0  0  0  0999 V2000
    4.8023    0.3468    1.6810 C   0  0  0  0  0
    4.5349    1.6875    0.9804 C   0  0  0  0  0
    5.8183    2.5553    0.9485 C   0  0  0  0  0
    6.3414    2.9920    2.3002 C   0  0  0  0  0
    7.6802    2.7502    2.6432 C   0  0  0  0  0
    8.1914    3.1941    3.8630 C   0  0  0  0  0
    7.3701    3.8849    4.7444 C   0  0  0  0  0
    6.0408    4.1409    4.4240 C   0  0  0  0  0
    5.5311    3.7009    3.2006 C   0  0  0  0  0
    7.9125    4.3076    5.9209 O   0  0  0  0  0
    4.0286    1.3754   -0.3774 N   0  0  0  0  0
    3.5005    2.5693   -1.0718 C   0  0  0  0  0
    2.9704    2.1873   -2.4761 C   0  0  0  0  0
    2.5646    3.4180   -3.2550 C   0  0  0  0  0
    1.2548    3.9107   -3.1472 C   0  0  0  0  0
    0.8870    5.0774   -3.8128 C   0  0  0  0  0
    1.8023    5.7757   -4.5905 C   0  0  0  0  0
    3.0994    5.2902   -4.6999 C   0  0  0  0  0
    3.4888    4.1249   -4.0417 C   0  0  0  0  0
    3.9797    5.9961   -5.4666 O   0  0  0  0  0
   -0.3982    5.5106   -3.6658 O   0  0  0  0  0
    3.9923    1.4680   -3.1762 O   0  0  0  0  0
    5.5504   -0.2434    1.1414 H   0  0  0  0  0
    3.8855   -0.2492    1.7463 H   0  0  0  0  0
    5.1622    0.4944    2.7033 H   0  0  0  0  0
    3.7419    2.1996    1.5399 H   0  0  0  0  0
    5.6481    3.4808    0.3864 H   0  0  0  0  0
    6.6014    2.0112    0.4045 H   0  0  0  0  0
    8.3395    2.2218    1.9575 H   0  0  0  0  0
    9.2300    3.0089    4.1208 H   0  0  0  0  0
    5.3938    4.6861    5.1040 H   0  0  0  0  0
    4.4972    3.9294    2.9511 H   0  0  0  0  0
    7.2331    4.7911    6.4186 H   0  0  0  0  0
    3.2694    0.6960   -0.2870 H   0  0  0  0  0
    4.3077    3.2974   -1.2051 H   0  0  0  0  0
    2.7050    3.0421   -0.4833 H   0  0  0  0  0
    2.1159    1.5062   -2.3853 H   0  0  0  0  0
    0.5145    3.3927   -2.5430 H   0  0  0  0  0
    1.5298    6.6873   -5.1110 H   0  0  0  0  0
    4.5073    3.7546   -4.1286 H   0  0  0  0  0
    4.8221    5.5120   -5.4881 H   0  0  0  0  0
   -0.5134    6.3102   -4.2062 H   0  0  0  0  0
    4.4541    0.9613   -2.4773 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 11  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 22  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
(R,S)-(-)-fenoterol

>  <PubChem CID>
688467

>  <Formula>
C17H21NO4

>  <Molecular Weight>
303.358000

>  <IUPAC Name>
5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]benzene-1,3-diol

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O

>  <Isomeric SMILES>
C[C@@H](CC1=CC=C(C=C1)O)NC[C@@H](C2=CC(=CC(=C2)O)O)O

>  <InChI Std. ID>
InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1

>  <InChI Key>
LSLYOANBFKQKPT-GTNSWQLSSA-N

