
 n-Propylapomorphine

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.7048    1.1903    3.9462 C   0  0  0  0  0
    7.2486    1.6052    2.5868 C   0  0  0  0  0
    6.1600    2.2785    1.7366 C   0  0  0  0  0
    6.6241    2.6177    0.3777 N   0  0  0  0  0
    5.4874    2.8981   -0.5165 C   0  0  0  0  0
    4.7417    4.1979   -0.1830 C   0  0  0  0  0
    5.6969    5.3581   -0.1725 C   0  0  0  0  0
    5.2435    6.6597   -0.3914 C   0  0  0  0  0
    6.1562    7.7071   -0.4677 C   0  0  0  0  0
    7.5275    7.4606   -0.3447 C   0  0  0  0  0
    8.0199    6.1713   -0.0923 C   0  0  0  0  0
    7.0684    5.1252    0.0315 C   0  0  0  0  0
    7.5977    3.7390    0.3802 C   0  0  0  0  0
    8.7869    3.4400   -0.5530 C   0  0  0  0  0
    9.8619    4.4920   -0.3296 C   0  0  0  0  0
    9.4736    5.8339   -0.0474 C   0  0  0  0  0
   10.5080    6.7308    0.2564 C   0  0  0  0  0
   11.8532    6.3350    0.2261 C   0  0  0  0  0
   12.2161    5.0359   -0.1081 C   0  0  0  0  0
   11.2155    4.1126   -0.3846 C   0  0  0  0  0
   12.7956    7.2763    0.5496 O   0  0  0  0  0
   10.2593    8.0266    0.6353 O   0  0  0  0  0
    7.5068    0.7746    4.5643 H   0  0  0  0  0
    5.9271    0.4277    3.8398 H   0  0  0  0  0
    6.2775    2.0473    4.4766 H   0  0  0  0  0
    7.6394    0.7216    2.0683 H   0  0  0  0  0
    8.0961    2.2785    2.7548 H   0  0  0  0  0
    5.3272    1.5673    1.6614 H   0  0  0  0  0
    5.7770    3.1639    2.2591 H   0  0  0  0  0
    4.7823    2.0573   -0.5046 H   0  0  0  0  0
    5.8616    2.9442   -1.5484 H   0  0  0  0  0
    3.9708    4.3596   -0.9460 H   0  0  0  0  0
    4.2385    4.1303    0.7877 H   0  0  0  0  0
    4.1842    6.8612   -0.5262 H   0  0  0  0  0
    5.8076    8.7195   -0.6542 H   0  0  0  0  0
    8.2060    8.2996   -0.4723 H   0  0  0  0  0
    8.0040    3.8469    1.3947 H   0  0  0  0  0
    8.4905    3.4489   -1.6095 H   0  0  0  0  0
    9.1911    2.4459   -0.3230 H   0  0  0  0  0
   13.2551    4.7263   -0.1394 H   0  0  0  0  0
   11.4860    3.0859   -0.6238 H   0  0  0  0  0
   13.6710    6.8551    0.5000 H   0  0  0  0  0
   11.1427    8.4042    0.8177 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-Propylapomorphine

>  <PubChem CID>
167715

>  <Formula>
C19H21NO2

>  <Molecular Weight>
295.382000

>  <IUPAC Name>
(6aR)-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=C2[C@H]1CC4=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/t15-/m1/s1

>  <InChI Key>
BTGAJCKRXPNBFI-OAHLLOKOSA-N

