
 (-)-Quinpirole hydrochloride

 39 40  0  0  0  0  0  0  0  0999 V2000
    7.1678   -1.3279    1.0677 C   0  0  0  0  0
    7.3314    0.0423    0.4141 C   0  0  0  0  0
    6.2788    1.0322    0.9421 C   0  0  0  0  0
    6.3510    2.3599    0.2863 N   0  0  0  0  0
    5.2080    3.1999    0.7275 C   0  0  0  0  0
    5.1838    4.5464   -0.0070 C   0  0  0  0  0
    6.5105    5.2907    0.1744 C   0  0  0  0  0
    7.6441    4.3966   -0.3563 C   0  0  0  0  0
    7.6593    3.0617    0.4409 C   0  0  0  0  0
    8.0715    3.2653    1.9416 C   0  0  0  0  0
    9.2073    4.2312    2.0480 C   0  0  0  0  0
    9.6443    5.0384    1.0362 C   0  0  0  0  0
    9.0341    5.0930   -0.3285 C   0  0  0  0  0
   10.7009    5.7448    1.4697 N   0  0  0  0  0
   10.9322    5.4374    2.7392 N   0  0  0  0  0
   10.0226    4.5139    3.1229 C   0  0  0  0  0
    1.1698   -2.1935    1.7471 Cl  0  0  0  0  0
    7.9386   -2.0230    0.6727 H   0  0  0  0  0
    6.1636   -1.7467    0.8465 H   0  0  0  0  0
    7.2953   -1.2459    2.1684 H   0  0  0  0  0
    7.2207   -0.0641   -0.6864 H   0  0  0  0  0
    8.3566    0.3959    0.6434 H   0  0  0  0  0
    5.2806    0.5869    0.7315 H   0  0  0  0  0
    6.3699    1.1319    2.0461 H   0  0  0  0  0
    5.2408    3.3744    1.8231 H   0  0  0  0  0
    4.2480    2.6822    0.5092 H   0  0  0  0  0
    5.0172    4.3606   -1.0912 H   0  0  0  0  0
    4.3428    5.1676    0.3693 H   0  0  0  0  0
    6.6666    5.5493    1.2435 H   0  0  0  0  0
    6.4704    6.2396   -0.4036 H   0  0  0  0  0
    7.4138    4.1972   -1.4279 H   0  0  0  0  0
    8.4593    2.4696   -0.0518 H   0  0  0  0  0
    8.3783    2.2815    2.3544 H   0  0  0  0  0
    7.2632    3.6720    2.5777 H   0  0  0  0  0
    8.9219    6.1403   -0.6826 H   0  0  0  0  0
    9.7449    4.5756   -1.0076 H   0  0  0  0  0
   11.2534    6.4401    0.9207 H   0  0  0  0  0
    9.9753    4.0688    4.1075 H   0  0  0  0  0
    1.5492   -1.5715    0.5804 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 16 38  1  0  0  0
 17 39  1  0  0  0
M  END

>  <Chemical Name>
(-)-Quinpirole hydrochloride

>  <PubChem CID>
55397

>  <Formula>
C13H22ClN3

>  <Molecular Weight>
255.790000

>  <IUPAC Name>
(4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN1CCCC2C1CC3=C(C2)NN=C3.Cl

>  <Isomeric SMILES>
CCCN1CCC[C@H]2[C@H]1CC3=C(C2)NN=C3.Cl

>  <InChI Std. ID>
InChI=1S/C13H21N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h9-10,13H,2-8H2,1H3,(H,14,15);1H/t10-,13-;/m1./s1

>  <InChI Key>
HJHVRVJTYPKTHX-HTMVYDOJSA-N

