11280714552D 1   1.00000     0.00000     0

 12 13  0     0  0            999 V2000
    3.9750   -1.5667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2625   -1.9875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9792   -0.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5500   -1.5750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4042   -1.5750    0.0000 N   0  0  0  0  0  0           0  0  0
    3.2625   -0.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5500   -0.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2667   -2.8125    0.0000 Cl  0  0  0  0  0  0           0  0  0
    4.6917   -1.9875    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8292   -1.9875    0.0000 Cl  0  0  0  0  0  0           0  0  0
    5.4042   -0.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6917   -0.3292    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  9  1  0     0  0
  6  3  2  0     0  0
  7  6  1  0     0  0
  8  2  1  0     0  0
  9  1  1  0     0  0
 10  4  1  0     0  0
 11  5  1  0     0  0
 12  3  1  0     0  0
 11 12  1  0     0  0
  4  7  2  0     0  0
M  END
> <ID>
CHEBI:160129

> <NAME>
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline

> <DEFINITION>
A 1,2,3,4-tetrahydroisoquinoline hacing chloro substituents at the 7- and 8-positions.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:47680

> <IUPAC_NAME>
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline

> <FORMULA>
C9H9Cl2N

> <MASS>
202.08000

> <MONOISOTOPIC_MASS>
201.01120

> <CHARGE>
0

> <SMILES>
Clc1ccc2CCNCc2c1Cl

> <INCHI>
InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2

> <INCHIKEY>
WFPUBEDBBOGGIQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1567923

> <CAS_REGISTRY_NUMBER>
61563-24-4

> <CHEMIDPLUS>
61563-24-4

> <DRUGBANK_ACCESSION>
DB08550

> <PDBECHEM_ACCESSION>
SKA

$$$$