
 Propranolol, L-

 40 41  0  0  0  0  0  0  0  0999 V2000
   10.0254    1.3365    0.1004 C   0  0  0  0  0
    8.8729    1.9320    0.9128 C   0  0  0  0  0
    9.2354    3.3527    1.3516 C   0  0  0  0  0
    7.6599    1.8656    0.0917 N   0  0  0  0  0
    6.4439    2.2855    0.7971 C   0  0  0  0  0
    5.2157    2.2067   -0.1301 C   0  0  0  0  0
    3.9489    2.6011    0.6411 C   0  0  0  0  0
    2.8214    2.4695   -0.2337 O   0  0  0  0  0
    1.5759    2.6902    0.3128 C   0  0  0  0  0
    1.3684    3.1407    1.6226 C   0  0  0  0  0
    0.0767    3.3278    2.1105 C   0  0  0  0  0
   -1.0215    3.0703    1.2954 C   0  0  0  0  0
   -0.8460    2.6299   -0.0231 C   0  0  0  0  0
   -1.9607    2.3785   -0.8404 C   0  0  0  0  0
   -1.8014    1.9458   -2.1560 C   0  0  0  0  0
   -0.5248    1.7585   -2.6712 C   0  0  0  0  0
    0.5929    2.0003   -1.8691 C   0  0  0  0  0
    0.4631    2.4384   -0.5327 C   0  0  0  0  0
    5.3982    3.1108   -1.2341 O   0  0  0  0  0
    9.8012    0.3095   -0.2095 H   0  0  0  0  0
   10.9435    1.3061    0.6979 H   0  0  0  0  0
   10.2310    1.9266   -0.8002 H   0  0  0  0  0
    8.7396    1.3070    1.8046 H   0  0  0  0  0
    9.2734    4.0387    0.4985 H   0  0  0  0  0
   10.2164    3.3695    1.8388 H   0  0  0  0  0
    8.5134    3.7452    2.0746 H   0  0  0  0  0
    7.7536    2.4465   -0.7460 H   0  0  0  0  0
    6.5495    3.3232    1.1316 H   0  0  0  0  0
    6.2859    1.6485    1.6743 H   0  0  0  0  0
    5.1051    1.1995   -0.5497 H   0  0  0  0  0
    4.0308    3.6475    0.9591 H   0  0  0  0  0
    3.8330    1.9392    1.5073 H   0  0  0  0  0
    2.1914    3.3603    2.2944 H   0  0  0  0  0
   -0.0742    3.6751    3.1295 H   0  0  0  0  0
   -2.0206    3.2206    1.6985 H   0  0  0  0  0
   -2.9685    2.5198   -0.4549 H   0  0  0  0  0
   -2.6741    1.7566   -2.7755 H   0  0  0  0  0
   -0.3946    1.4240   -3.6965 H   0  0  0  0  0
    1.5809    1.8439   -2.2970 H   0  0  0  0  0
    4.5559    3.0940   -1.7271 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>
Propranolol, L-

>  <PubChem CID>
91536

>  <Formula>
C16H21NO2

>  <Molecular Weight>
259.349000

>  <IUPAC Name>
(2S)-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-/m0/s1

>  <InChI Key>
AQHHHDLHHXJYJD-AWEZNQCLSA-N

