
 DEXPROPRANOLOL

 40 41  0  0  0  0  0  0  0  0999 V2000
    8.7704    3.4620    1.7210 C   0  0  0  0  0
    8.4307    3.4251    0.2306 C   0  0  0  0  0
    9.2955    2.4026   -0.5073 C   0  0  0  0  0
    6.9922    3.2603   -0.0126 N   0  0  0  0  0
    6.4032    2.0012    0.4682 C   0  0  0  0  0
    4.9069    1.9058    0.1036 C   0  0  0  0  0
    4.0760    3.0166    0.7602 C   0  0  0  0  0
    2.6934    2.7717    0.4578 O   0  0  0  0  0
    1.7828    3.7091    0.8949 C   0  0  0  0  0
    2.1084    4.7697    1.7472 C   0  0  0  0  0
    1.1348    5.6829    2.1461 C   0  0  0  0  0
   -0.1755    5.5463    1.6968 C   0  0  0  0  0
   -0.5346    4.4926    0.8464 C   0  0  0  0  0
   -1.8603    4.3646    0.3960 C   0  0  0  0  0
   -2.2313    3.3214   -0.4492 C   0  0  0  0  0
   -1.2841    2.3892   -0.8529 C   0  0  0  0  0
    0.0375    2.5034   -0.4141 C   0  0  0  0  0
    0.4463    3.5529    0.4385 C   0  0  0  0  0
    4.7640    1.9618   -1.3265 O   0  0  0  0  0
    8.1584    4.2060    2.2436 H   0  0  0  0  0
    9.8204    3.7415    1.8661 H   0  0  0  0  0
    8.6196    2.4914    2.2037 H   0  0  0  0  0
    8.6909    4.4119   -0.1729 H   0  0  0  0  0
    9.1326    1.3833   -0.1488 H   0  0  0  0  0
   10.3593    2.6313   -0.3672 H   0  0  0  0  0
    9.0956    2.4261   -1.5850 H   0  0  0  0  0
    6.8074    3.3075   -1.0199 H   0  0  0  0  0
    6.5056    1.9160    1.5546 H   0  0  0  0  0
    6.9141    1.1528    0.0019 H   0  0  0  0  0
    4.5221    0.9276    0.4150 H   0  0  0  0  0
    4.3628    3.9908    0.3483 H   0  0  0  0  0
    4.2287    2.9877    1.8450 H   0  0  0  0  0
    3.1159    4.9177    2.1246 H   0  0  0  0  0
    1.3984    6.5044    2.8076 H   0  0  0  0  0
   -0.9183    6.2733    2.0183 H   0  0  0  0  0
   -2.6156    5.0845    0.7032 H   0  0  0  0  0
   -3.2606    3.2377   -0.7903 H   0  0  0  0  0
   -1.5686    1.5715   -1.5102 H   0  0  0  0  0
    0.7592    1.7594   -0.7441 H   0  0  0  0  0
    3.8078    2.0743   -1.4897 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 18  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 35  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 19 40  1  0  0  0
M  END

>  <Chemical Name>
DEXPROPRANOLOL

>  <PubChem CID>
21138

>  <Formula>
C16H21NO2

>  <Molecular Weight>
259.349000

>  <IUPAC Name>
(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
3.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O

>  <Isomeric SMILES>
CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O

>  <InChI Std. ID>
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1

>  <InChI Key>
AQHHHDLHHXJYJD-CQSZACIVSA-N

