
 metaproterenol

 32 32  0  0  0  0  0  0  0  0999 V2000
    4.5887   -0.6236   -0.0767 C   0  0  0  0  0
    3.9286    0.1876    1.0415 C   0  0  0  0  0
    4.3736   -0.3591    2.3989 C   0  0  0  0  0
    4.2898    1.6017    0.8513 N   0  0  0  0  0
    3.5656    2.5055    1.7734 C   0  0  0  0  0
    3.9236    3.9810    1.4526 C   0  0  0  0  0
    3.3506    4.9546    2.4622 C   0  0  0  0  0
    1.9576    5.0778    2.6012 C   0  0  0  0  0
    1.4146    5.9641    3.5286 C   0  0  0  0  0
    2.2328    6.7535    4.3270 C   0  0  0  0  0
    3.6100    6.6461    4.1842 C   0  0  0  0  0
    4.1735    5.7596    3.2669 C   0  0  0  0  0
    4.3932    7.4391    4.9716 O   0  0  0  0  0
    0.0550    6.0275    3.6222 O   0  0  0  0  0
    5.3528    4.0882    1.3817 O   0  0  0  0  0
    4.2518   -0.2843   -1.0632 H   0  0  0  0  0
    4.3320   -1.6856    0.0102 H   0  0  0  0  0
    5.6812   -0.5386   -0.0442 H   0  0  0  0  0
    2.8427    0.0688    0.9455 H   0  0  0  0  0
    5.4445   -0.1949    2.5661 H   0  0  0  0  0
    4.1874   -1.4377    2.4609 H   0  0  0  0  0
    3.8236    0.1069    3.2229 H   0  0  0  0  0
    4.0542    1.8654   -0.1083 H   0  0  0  0  0
    3.8736    2.2930    2.8034 H   0  0  0  0  0
    2.4835    2.3497    1.6951 H   0  0  0  0  0
    3.5447    4.2480    0.4584 H   0  0  0  0  0
    1.2822    4.4867    1.9874 H   0  0  0  0  0
    1.8244    7.4494    5.0502 H   0  0  0  0  0
    5.2536    5.6886    3.1684 H   0  0  0  0  0
    5.3225    7.2762    4.7368 H   0  0  0  0  0
   -0.1727    6.6847    4.3016 H   0  0  0  0  0
    5.6481    3.1985    1.0968 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 29  1  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
M  END

>  <Chemical Name>
metaproterenol

>  <PubChem CID>
4086

>  <Formula>
C11H17NO3

>  <Molecular Weight>
211.261000

>  <IUPAC Name>
5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol

>  <XlogP>
0.700

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

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

>  <Isomeric SMILES>
CC(C)NCC(C1=CC(=CC(=C1)O)O)O

>  <InChI Std. ID>
InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3

>  <InChI Key>
LMOINURANNBYCM-UHFFFAOYSA-N

