
 Levobetaxolol

 51 52  0  0  0  0  0  0  0  0999 V2000
    6.4098    8.7356    2.4481 C   0  0  0  0  0
    6.9348    7.3695    1.9966 C   0  0  0  0  0
    8.3667    7.1823    2.4993 C   0  0  0  0  0
    6.0169    6.3340    2.4978 N   0  0  0  0  0
    6.3124    4.9987    1.9532 C   0  0  0  0  0
    5.3061    3.9109    2.3796 C   0  0  0  0  0
    3.8977    4.1419    1.8216 C   0  0  0  0  0
    3.0267    3.1031    2.3212 O   0  0  0  0  0
    2.0207    3.6455    3.0728 C   0  0  0  0  0
    0.7577    3.7834    2.5044 C   0  0  0  0  0
   -0.2681    4.3772    3.2416 C   0  0  0  0  0
   -0.0360    4.8158    4.5535 C   0  0  0  0  0
    1.2305    4.6266    5.1252 C   0  0  0  0  0
    2.2561    4.0337    4.3893 C   0  0  0  0  0
   -1.1105    5.5448    5.3207 C   0  0  0  0  0
   -1.0200    7.0529    5.0923 C   0  0  0  0  0
   -2.0147    7.7117    5.8773 O   0  0  0  0  0
   -2.0357    9.1133    5.6089 C   0  0  0  0  0
   -3.0657    9.7486    6.4861 C   0  0  0  0  0
   -2.6671   10.5282    7.7145 C   0  0  0  0  0
   -3.2097   11.2495    6.5116 C   0  0  0  0  0
    5.7835    2.6418    1.9023 O   0  0  0  0  0
    5.3960    8.9148    2.0717 H   0  0  0  0  0
    7.0475    9.5404    2.0663 H   0  0  0  0  0
    6.3847    8.8165    3.5412 H   0  0  0  0  0
    6.9340    7.3608    0.8997 H   0  0  0  0  0
    8.4028    7.1132    3.5915 H   0  0  0  0  0
    8.9952    8.0279    2.1963 H   0  0  0  0  0
    8.8261    6.2794    2.0835 H   0  0  0  0  0
    5.0662    6.6045    2.2494 H   0  0  0  0  0
    7.3031    4.6718    2.2922 H   0  0  0  0  0
    6.3561    5.0330    0.8574 H   0  0  0  0  0
    5.2773    3.8388    3.4724 H   0  0  0  0  0
    3.9057    4.0355    0.7304 H   0  0  0  0  0
    3.5236    5.1462    2.0561 H   0  0  0  0  0
    0.5769    3.4490    1.4868 H   0  0  0  0  0
   -1.2464    4.5057    2.7831 H   0  0  0  0  0
    1.4274    4.9507    6.1449 H   0  0  0  0  0
    3.2316    3.8904    4.8417 H   0  0  0  0  0
   -1.0303    5.3188    6.3915 H   0  0  0  0  0
   -2.1027    5.1796    5.0268 H   0  0  0  0  0
   -1.1769    7.2821    4.0311 H   0  0  0  0  0
   -0.0307    7.4259    5.3845 H   0  0  0  0  0
   -2.3041    9.2752    4.5601 H   0  0  0  0  0
   -1.0425    9.5403    5.7915 H   0  0  0  0  0
   -3.9786    9.1642    6.5253 H   0  0  0  0  0
   -1.6135   10.6416    7.9417 H   0  0  0  0  0
   -3.3011   10.4498    8.5898 H   0  0  0  0  0
   -4.2122   11.6588    6.5738 H   0  0  0  0  0
   -2.5228   11.8492    5.9254 H   0  0  0  0  0
    5.0660    2.0036    2.0793 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  4  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6 22  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  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 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 51  1  0  0  0
M  END

>  <Chemical Name>
Levobetaxolol

>  <PubChem CID>
60657

>  <Formula>
C18H29NO3

>  <Molecular Weight>
307.434000

>  <IUPAC Name>
(2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O

>  <Isomeric SMILES>
CC(C)NC[C@@H](COC1=CC=C(C=C1)CCOCC2CC2)O

>  <InChI Std. ID>
InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1

>  <InChI Key>
NWIUTZDMDHAVTP-KRWDZBQOSA-N

