
 Metaterol

 31 31  0  0  0  0  0  0  0  0999 V2000
    6.3916   -0.4571    0.2149 C   0  0  0  0  0
    5.2794    0.2445    1.0001 C   0  0  0  0  0
    5.7420    0.4854    2.4379 C   0  0  0  0  0
    4.9423    1.4999    0.3071 N   0  0  0  0  0
    3.6851    2.0959    0.8111 C   0  0  0  0  0
    3.3396    3.3693   -0.0004 C   0  0  0  0  0
    2.0799    4.0298    0.5145 C   0  0  0  0  0
    2.1244    5.0247    1.5032 C   0  0  0  0  0
    0.9417    5.5835    1.9840 C   0  0  0  0  0
   -0.2924    5.1657    1.5041 C   0  0  0  0  0
   -0.3508    4.1785    0.5231 C   0  0  0  0  0
    0.8280    3.6124    0.0316 C   0  0  0  0  0
    0.9567    6.5546    2.9417 O   0  0  0  0  0
    4.4495    4.2725    0.0615 O   0  0  0  0  0
    6.0751   -0.6716   -0.8117 H   0  0  0  0  0
    6.6518   -1.4121    0.6842 H   0  0  0  0  0
    7.2997    0.1544    0.1699 H   0  0  0  0  0
    4.4079   -0.4224    1.0068 H   0  0  0  0  0
    6.5786    1.1919    2.4758 H   0  0  0  0  0
    6.0751   -0.4518    2.8974 H   0  0  0  0  0
    4.9348    0.8794    3.0629 H   0  0  0  0  0
    4.8245    1.2972   -0.6879 H   0  0  0  0  0
    3.8153    2.3780    1.8618 H   0  0  0  0  0
    2.8624    1.3746    0.7443 H   0  0  0  0  0
    3.2070    3.1156   -1.0590 H   0  0  0  0  0
    3.0866    5.3542    1.8856 H   0  0  0  0  0
   -1.2046    5.6108    1.8904 H   0  0  0  0  0
   -1.3141    3.8507    0.1419 H   0  0  0  0  0
    0.7619    2.8418   -0.7331 H   0  0  0  0  0
    1.8823    6.7839    3.1259 H   0  0  0  0  0
    5.2355    3.6897    0.0786 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 27  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
M  END

>  <Chemical Name>
Metaterol

>  <PubChem CID>
19136

>  <Formula>
C11H17NO2

>  <Molecular Weight>
195.262000

>  <IUPAC Name>
3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol

>  <XlogP>
0.500

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-4-3-5-10(13)6-9/h3-6,8,11-14H,7H2,1-2H3

>  <InChI Key>
LVISWIXSNZQRHA-UHFFFAOYSA-N

