
 N-n-Propylnorapomorphine

 43 46  0  0  0  0  0  0  0  0999 V2000
    4.6845    2.4110    4.1216 C   0  0  0  0  0
    5.1516    2.1770    2.6904 C   0  0  0  0  0
    6.1190    3.2796    2.2420 C   0  0  0  0  0
    6.6631    3.0997    0.8792 N   0  0  0  0  0
    5.6263    3.0734   -0.1657 C   0  0  0  0  0
    4.8418    4.3877   -0.2863 C   0  0  0  0  0
    5.7829    5.5472   -0.4705 C   0  0  0  0  0
    5.3311    6.7425   -1.0323 C   0  0  0  0  0
    6.2357    7.7637   -1.3062 C   0  0  0  0  0
    7.5991    7.5850   -1.0509 C   0  0  0  0  0
    8.0872    6.4090   -0.4624 C   0  0  0  0  0
    7.1383    5.4117   -0.1194 C   0  0  0  0  0
    7.6600    4.1692    0.5937 C   0  0  0  0  0
    8.8704    3.6491   -0.2076 C   0  0  0  0  0
    9.9375    4.7362   -0.2420 C   0  0  0  0  0
    9.5394    6.1044   -0.3019 C   0  0  0  0  0
   10.5653    7.0584   -0.2220 C   0  0  0  0  0
   11.9130    6.6771   -0.1530 C   0  0  0  0  0
   12.2869    5.3417   -0.1591 C   0  0  0  0  0
   11.2943    4.3675   -0.1991 C   0  0  0  0  0
   12.8466    7.6789   -0.0751 O   0  0  0  0  0
   10.3037    8.4048   -0.1744 O   0  0  0  0  0
    4.0133    1.6069    4.4374 H   0  0  0  0  0
    4.1413    3.3573    4.2024 H   0  0  0  0  0
    5.5311    2.4403    4.8132 H   0  0  0  0  0
    4.2650    2.1436    2.0484 H   0  0  0  0  0
    5.6445    1.1992    2.6260 H   0  0  0  0  0
    5.6382    4.2589    2.3549 H   0  0  0  0  0
    6.9591    3.2659    2.9493 H   0  0  0  0  0
    4.9335    2.2397   -0.0083 H   0  0  0  0  0
    6.1090    2.8485   -1.1275 H   0  0  0  0  0
    4.1772    4.3125   -1.1554 H   0  0  0  0  0
    4.2145    4.5604    0.5950 H   0  0  0  0  0
    4.2821    6.8740   -1.2849 H   0  0  0  0  0
    5.8905    8.6890   -1.7595 H   0  0  0  0  0
    8.2771    8.3787   -1.3528 H   0  0  0  0  0
    8.0571    4.5192    1.5600 H   0  0  0  0  0
    8.5984    3.3822   -1.2365 H   0  0  0  0  0
    9.2732    2.7530    0.2809 H   0  0  0  0  0
   13.3285    5.0417   -0.1153 H   0  0  0  0  0
   11.5749    3.3164   -0.1799 H   0  0  0  0  0
   13.7270    7.2674   -0.0332 H   0  0  0  0  0
   11.1833    8.8242   -0.0892 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  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
N-n-Propylnorapomorphine

>  <PubChem CID>
30137

>  <Formula>
C19H21NO2

>  <Molecular Weight>
295.382000

>  <IUPAC Name>
6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O

>  <Isomeric SMILES>
CCCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O

>  <InChI Std. ID>
InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3

>  <InChI Key>
BTGAJCKRXPNBFI-UHFFFAOYSA-N

