
 Procinolol

 41 42  0  0  0  0  0  0  0  0999 V2000
    7.8897    7.0571    1.2421 C   0  0  0  0  0
    7.9728    5.6424    1.8151 C   0  0  0  0  0
    7.9193    5.7059    3.3449 C   0  0  0  0  0
    6.8661    4.7848    1.3551 N   0  0  0  0  0
    6.9890    4.4186   -0.0724 C   0  0  0  0  0
    5.8076    3.5204   -0.5150 C   0  0  0  0  0
    5.8390    2.1184    0.1068 C   0  0  0  0  0
    7.0346    1.4606   -0.3011 O   0  0  0  0  0
    7.3185    0.2271    0.2210 C   0  0  0  0  0
    6.7303   -0.2752    1.3911 C   0  0  0  0  0
    7.0820   -1.5302    1.8868 C   0  0  0  0  0
    8.0290   -2.2954    1.2198 C   0  0  0  0  0
    8.6215   -1.7975    0.0603 C   0  0  0  0  0
    8.2920   -0.5317   -0.4714 C   0  0  0  0  0
    8.9570   -0.1222   -1.7770 C   0  0  0  0  0
    9.2551    1.2946   -2.2012 C   0  0  0  0  0
   10.3691    0.4217   -1.7133 C   0  0  0  0  0
    4.5780    4.1696   -0.1583 O   0  0  0  0  0
    8.6617    7.6973    1.6834 H   0  0  0  0  0
    6.9167    7.5164    1.4495 H   0  0  0  0  0
    8.0473    7.0655    0.1591 H   0  0  0  0  0
    8.9338    5.1925    1.5343 H   0  0  0  0  0
    6.9743    6.1350    3.6967 H   0  0  0  0  0
    8.7354    6.3234    3.7365 H   0  0  0  0  0
    8.0228    4.7078    3.7854 H   0  0  0  0  0
    6.9008    3.9241    1.9051 H   0  0  0  0  0
    7.9460    3.9251   -0.2688 H   0  0  0  0  0
    6.9430    5.3308   -0.6767 H   0  0  0  0  0
    5.8352    3.4296   -1.6073 H   0  0  0  0  0
    4.9675    1.5451   -0.2357 H   0  0  0  0  0
    5.7718    2.2133    1.1947 H   0  0  0  0  0
    5.9939    0.2896    1.9522 H   0  0  0  0  0
    6.6170   -1.9085    2.7928 H   0  0  0  0  0
    8.3040   -3.2773    1.5953 H   0  0  0  0  0
    9.3552   -2.4140   -0.4578 H   0  0  0  0  0
    8.7456   -0.8022   -2.6032 H   0  0  0  0  0
    9.2038    1.5119   -3.2614 H   0  0  0  0  0
    8.9727    2.1266   -1.5758 H   0  0  0  0  0
   11.0886    0.0593   -2.4383 H   0  0  0  0  0
   10.7944    0.6618   -0.7462 H   0  0  0  0  0
    4.8005    4.7168    0.6233 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 18  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  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
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 14 15  1  0  0  0
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 15 16  1  0  0  0
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 18 41  1  0  0  0
M  END

>  <Chemical Name>
Procinolol

>  <PubChem CID>
71707

>  <Formula>
C15H23NO2

>  <Molecular Weight>
249.354000

>  <IUPAC Name>
1-(2-cyclopropylphenoxy)-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=CC=C1C2CC2)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=CC=C1C2CC2)O

>  <InChI Std. ID>
InChI=1S/C15H23NO2/c1-11(2)16-9-13(17)10-18-15-6-4-3-5-14(15)12-7-8-12/h3-6,11-13,16-17H,7-10H2,1-2H3

>  <InChI Key>
RTAGQMIEWAAKMO-UHFFFAOYSA-N

