
 apomorphine

 37 40  0  0  0  0  0  0  0  0999 V2000
    4.8310    0.4372   -0.7437 C   0  0  0  0  0
    4.9499    1.1014    0.5505 N   0  0  0  0  0
    3.6439    1.5272    1.0724 C   0  0  0  0  0
    3.0097    2.6848    0.2964 C   0  0  0  0  0
    3.9822    3.8058    0.0409 C   0  0  0  0  0
    3.4954    5.0619   -0.3325 C   0  0  0  0  0
    4.3801    6.0911   -0.6188 C   0  0  0  0  0
    5.7574    5.8749   -0.5341 C   0  0  0  0  0
    6.2968    4.6377   -0.1374 C   0  0  0  0  0
    5.3756    3.5840    0.1220 C   0  0  0  0  0
    5.9156    2.2335    0.5918 C   0  0  0  0  0
    7.2464    1.9197   -0.1235 C   0  0  0  0  0
    8.2359    3.0546   -0.0043 C   0  0  0  0  0
    7.7672    4.3960   -0.0146 C   0  0  0  0  0
    8.7558    5.3918    0.0953 C   0  0  0  0  0
   10.1225    5.0755    0.1523 C   0  0  0  0  0
   10.5595    3.7628    0.1221 C   0  0  0  0  0
    9.6105    2.7508    0.0464 C   0  0  0  0  0
   11.0076    6.1198    0.2381 O   0  0  0  0  0
    8.4476    6.7279    0.1755 O   0  0  0  0  0
    5.7590   -0.0874   -0.9970 H   0  0  0  0  0
    4.5836    1.1235   -1.5594 H   0  0  0  0  0
    4.0625   -0.3440   -0.7066 H   0  0  0  0  0
    3.7685    1.8214    2.1230 H   0  0  0  0  0
    2.9478    0.6788    1.0913 H   0  0  0  0  0
    2.6323    2.3295   -0.6705 H   0  0  0  0  0
    2.1522    3.0607    0.8674 H   0  0  0  0  0
    2.4258    5.2420   -0.4034 H   0  0  0  0  0
    4.0062    7.0686   -0.9117 H   0  0  0  0  0
    6.4028    6.7086   -0.7941 H   0  0  0  0  0
    6.1489    2.3776    1.6581 H   0  0  0  0  0
    7.0962    1.7451   -1.1958 H   0  0  0  0  0
    7.6760    1.0075    0.3107 H   0  0  0  0  0
   11.6130    3.5090    0.1619 H   0  0  0  0  0
    9.9393    1.7137    0.0250 H   0  0  0  0  0
   11.9083    5.7520    0.2356 H   0  0  0  0  0
    9.3123    7.1777    0.2577 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  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
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
apomorphine

>  <PubChem CID>
6005

>  <Formula>
C17H17NO2

>  <Molecular Weight>
267.328000

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

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O

>  <Isomeric SMILES>
CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O

>  <InChI Std. ID>
InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1

>  <InChI Key>
VMWNQDUVQKEIOC-CYBMUJFWSA-N

