| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:15 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172172 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16Cl3N |
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| Molecular Mass | 339.0348 |
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| SMILES | CN1CCc2cc(Cl)ccc2C1Cc1ccc(Cl)c(Cl)c1 |
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| InChI Key | HGQARXLGPVANCV-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 | isoquinolines and derivatives |
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| Subclass | benzylisoquinolines |
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| Direct Parent | benzylisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aralkylaminesaryl chloridesazacyclic compoundsdichlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietyazacycleorganochloridetertiary aliphatic amineorganohalogen compoundbenzylisoquinolinearalkylaminearyl halidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivative1,2-dichlorobenzenebenzenoidorganic nitrogen compoundhalobenzeneaminetertiary amine |
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