
 (R)-Metoprolol

 44 44  0  0  0  0  0  0  0  0999 V2000
    9.1227    4.6374    0.4447 C   0  0  0  0  0
    8.5375    3.2272    0.5675 C   0  0  0  0  0
    8.6931    2.7403    2.0101 C   0  0  0  0  0
    7.1335    3.2891    0.1557 N   0  0  0  0  0
    6.4746    1.9780    0.0434 C   0  0  0  0  0
    5.0075    2.1462   -0.4102 C   0  0  0  0  0
    4.2542    3.0918    0.5334 C   0  0  0  0  0
    2.8602    3.1095    0.1985 O   0  0  0  0  0
    2.1046    3.9967    0.9249 C   0  0  0  0  0
    0.7657    4.1012    0.5453 C   0  0  0  0  0
   -0.0895    4.9985    1.1924 C   0  0  0  0  0
    0.3860    5.8026    2.2356 C   0  0  0  0  0
    1.7224    5.6825    2.6265 C   0  0  0  0  0
    2.5732    4.7859    1.9795 C   0  0  0  0  0
   -0.4956    6.8369    2.8837 C   0  0  0  0  0
   -0.4474    8.1567    2.1182 C   0  0  0  0  0
   -1.2236    9.1317    2.8169 O   0  0  0  0  0
   -1.1713   10.3948    2.1637 C   0  0  0  0  0
    4.9814    2.6618   -1.7506 O   0  0  0  0  0
    9.0526    5.0071   -0.5853 H   0  0  0  0  0
   10.1803    4.6451    0.7266 H   0  0  0  0  0
    8.5975    5.3491    1.0943 H   0  0  0  0  0
    9.0973    2.5647   -0.1036 H   0  0  0  0  0
    8.0845    3.3345    2.7009 H   0  0  0  0  0
    9.7363    2.8182    2.3340 H   0  0  0  0  0
    8.4007    1.6909    2.1159 H   0  0  0  0  0
    7.0615    3.7358   -0.7643 H   0  0  0  0  0
    6.4775    1.4618    1.0079 H   0  0  0  0  0
    7.0106    1.3626   -0.6875 H   0  0  0  0  0
    4.5146    1.1683   -0.4383 H   0  0  0  0  0
    4.6514    4.1079    0.4127 H   0  0  0  0  0
    4.3757    2.7421    1.5659 H   0  0  0  0  0
    0.3857    3.4897   -0.2692 H   0  0  0  0  0
   -1.1249    5.0750    0.8681 H   0  0  0  0  0
    2.1178    6.2992    3.4319 H   0  0  0  0  0
    3.6028    4.7414    2.3220 H   0  0  0  0  0
   -0.1862    6.9974    3.9260 H   0  0  0  0  0
   -1.5294    6.4718    2.9497 H   0  0  0  0  0
   -0.8534    8.0249    1.1086 H   0  0  0  0  0
    0.5876    8.5108    2.0330 H   0  0  0  0  0
   -1.7915   11.0982    2.7241 H   0  0  0  0  0
   -1.5617   10.3157    1.1455 H   0  0  0  0  0
   -0.1447   10.7726    2.1453 H   0  0  0  0  0
    4.0506    2.8952   -1.9254 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 19  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  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 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
M  END

>  <Chemical Name>
(R)-Metoprolol

>  <PubChem CID>
157717

>  <Formula>
C15H25NO3

>  <Molecular Weight>
267.369000

>  <IUPAC Name>
(2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)CCOC)O

>  <Isomeric SMILES>
CC(C)NC[C@H](COC1=CC=C(C=C1)CCOC)O

>  <InChI Std. ID>
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m1/s1

>  <InChI Key>
IUBSYMUCCVWXPE-CQSZACIVSA-N

