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SKA

Summary
Name:7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE
Synonyms:SK&F 64139
Formula:C9 H9 Cl2 N
Formal charge:0
Formula weight:202.08 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.047,8-dichloro-1,2,3,4-tetrahydroisoquinoline
OpenEye OEToolkits1.5.07,8-dichloro-1,2,3,4-tetrahydroisoquinoline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1c(Cl)ccc2c1CNCC2
SMILES_CANONICALCACTVS3.341Clc1ccc2CCNCc2c1Cl
SMILESCACTVS3.341Clc1ccc2CCNCc2c1Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(c2c1CCNC2)Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(c(c2c1CCNC2)Cl)Cl
InChIInChI1.03InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
InChIKeyInChI1.03WFPUBEDBBOGGIQ-UHFFFAOYSA-N

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PDB entries from 2024-07-10

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