| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:13 UTC |
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| Update Date | 2025-03-25 00:47:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165258 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13ClN2 |
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| Molecular Mass | 220.0767 |
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| SMILES | CC1c2cc(Cl)c(C#N)cc2CCN1C |
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| InChI Key | SMKSRSIUPHZLDF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aralkylaminesaryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesnitrilesorganochloridesorganopnictogen compoundstrialkylamines |
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| Substituents | aryl chloridenitrileazacycleorganochloridetertiary aliphatic amineorganohalogen compoundaralkylaminearyl halidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminecarbonitriletertiary amine |
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