
 isoproterenol

 32 32  0  0  0  0  0  0  0  0999 V2000
    2.2625    1.8490   -2.1281 C   0  0  0  0  0
    2.6814    1.4341   -0.7149 C   0  0  0  0  0
    3.0804   -0.0424   -0.7129 C   0  0  0  0  0
    3.7860    2.3079   -0.2848 N   0  0  0  0  0
    4.0695    2.1863    1.1626 C   0  0  0  0  0
    5.2140    3.1514    1.5578 C   0  0  0  0  0
    5.5820    3.0105    3.0184 C   0  0  0  0  0
    6.5717    2.1077    3.4406 C   0  0  0  0  0
    6.8665    1.9697    4.7969 C   0  0  0  0  0
    6.1778    2.7224    5.7463 C   0  0  0  0  0
    5.1923    3.6210    5.3459 C   0  0  0  0  0
    4.8955    3.7621    3.9871 C   0  0  0  0  0
    6.4788    2.5724    7.0710 O   0  0  0  0  0
    7.8319    1.0925    5.2057 O   0  0  0  0  0
    6.3480    2.8903    0.7232 O   0  0  0  0  0
    1.9338    2.8940   -2.1517 H   0  0  0  0  0
    1.4267    1.2343   -2.4798 H   0  0  0  0  0
    3.0866    1.7361   -2.8418 H   0  0  0  0  0
    1.8156    1.5768   -0.0564 H   0  0  0  0  0
    3.9848   -0.2133   -1.3074 H   0  0  0  0  0
    2.2803   -0.6588   -1.1377 H   0  0  0  0  0
    3.2645   -0.4111    0.3010 H   0  0  0  0  0
    3.5270    3.2773   -0.4807 H   0  0  0  0  0
    4.3874    1.1614    1.3842 H   0  0  0  0  0
    3.1712    2.4057    1.7515 H   0  0  0  0  0
    4.9165    4.1881    1.3580 H   0  0  0  0  0
    7.1063    1.5199    2.6989 H   0  0  0  0  0
    4.6463    4.2147    6.0724 H   0  0  0  0  0
    4.1217    4.4663    3.6879 H   0  0  0  0  0
    5.9454    3.1936    7.5889 H   0  0  0  0  0
    8.2619    0.7182    4.4214 H   0  0  0  0  0
    5.9610    2.6275   -0.1366 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  8  2  0  0  0
  7 12  1  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 13  1  0  0  0
 11 12  2  0  0  0
 11 28  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>
isoproterenol

>  <PubChem CID>
3779

>  <Formula>
C11H17NO3

>  <Molecular Weight>
211.261000

>  <IUPAC Name>
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol

>  <XlogP>
-0.600

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

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

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

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

>  <InChI Key>
JWZZKOKVBUJMES-UHFFFAOYSA-N

