CHEBI:160129 - 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
ChEBI ID CHEBI:160129
Definition A 1,2,3,4-tetrahydroisoquinoline hacing chloro substituents at the 7- and 8-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:47680
Supplier Information
Download Molfile XML SDF
Formula C9H9Cl2N
Net Charge 0
Average Mass 202.08000
Monoisotopic Mass 201.01120
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
SMILES Clc1ccc2CCNCc2c1Cl
ChEBI Ontology
Outgoing 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline (CHEBI:160129) is a isoquinolines (CHEBI:24922)
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline (CHEBI:160129) is a organochlorine compound (CHEBI:36683)
IUPAC Name
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
Manual Xrefs Databases
DB08550 DrugBank
SKA PDBeChem
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Registry Numbers Types Sources
1567923 Beilstein Registry Number Beilstein
61563-24-4 CAS Registry Number ChemIDplus
Last Modified
04 March 2010