
 talipexole hydrochloride

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.5535    2.5629   -0.6504 C   0  0  0  0  0
    2.8614    2.3344   -0.5110 C   0  0  0  0  0
    3.3618    1.0047   -0.0092 C   0  0  0  0  0
    4.8373    0.9795    0.0663 N   0  0  0  0  0
    5.3648   -0.0408    1.0037 C   0  0  0  0  0
    5.0559   -1.4948    0.6074 C   0  0  0  0  0
    5.6143   -1.9592   -0.7086 C   0  0  0  0  0
    6.3459   -1.1632   -1.6179 C   0  0  0  0  0
    6.7402    0.2739   -1.4947 C   0  0  0  0  0
    5.5061    1.1528   -1.2543 C   0  0  0  0  0
    6.6747   -2.1324   -2.9197 S   0  0  0  0  0
    5.9404   -3.4932   -2.3524 C   0  0  0  0  0
    5.3980   -3.2564   -1.1322 N   0  0  0  0  0
    5.8679   -4.7322   -3.0228 N   0  0  0  0  0
    1.1112   -2.4746    1.5511 Cl  0  0  0  0  0
    1.2062    3.5252   -1.0122 H   0  0  0  0  0
    0.8265    1.7943   -0.4053 H   0  0  0  0  0
    3.5645    3.1229   -0.7629 H   0  0  0  0  0
    3.0015    0.1903   -0.6762 H   0  0  0  0  0
    2.9251    0.8493    1.0025 H   0  0  0  0  0
    4.9168    0.1354    2.0061 H   0  0  0  0  0
    6.4527    0.0954    1.1615 H   0  0  0  0  0
    5.4664   -2.1546    1.4014 H   0  0  0  0  0
    3.9559   -1.6410    0.5849 H   0  0  0  0  0
    7.4930    0.4178   -0.6946 H   0  0  0  0  0
    7.2262    0.5853   -2.4442 H   0  0  0  0  0
    5.8315    2.2126   -1.3197 H   0  0  0  0  0
    4.7960    0.9812   -2.0957 H   0  0  0  0  0
    6.3001   -4.8461   -3.9508 H   0  0  0  0  0
    5.3827   -5.5294   -2.5862 H   0  0  0  0  0
    1.0217   -2.4939    0.1787 H   0  0  0  0  0
  1  2  2  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
talipexole hydrochloride

>  <PubChem CID>
6852379

>  <Formula>
C10H16ClN3S

>  <Molecular Weight>
245.769000

>  <IUPAC Name>
6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C=CCN1CCC2=C(CC1)SC(=N2)N.Cl

>  <Isomeric SMILES>
C=CCN1CCC2=C(CC1)SC(=N2)N.Cl

>  <InChI Std. ID>
InChI=1S/C10H15N3S.ClH/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8;/h2H,1,3-7H2,(H2,11,12);1H

>  <InChI Key>
AFOGLDDNZFXNPQ-UHFFFAOYSA-N

