| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:06 UTC |
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| Update Date | 2025-03-25 00:49:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176463 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26Cl2N2O |
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| Molecular Mass | 404.1422 |
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| SMILES | CC(=O)N1CCc2cc(Cl)ccc2C1(CCCN(C)C)c1ccc(Cl)cc1 |
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| InChI Key | AVYQMFODNQCVCJ-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 | 1-phenyltetrahydroisoquinolines |
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| Direct Parent | 1-phenyltetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylbutylaminestertiary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupamino acid or derivativesorganochloridecarboxylic acid derivativeorganohalogen compound1-phenyltetrahydroisoquinolineorganic oxidephenylbutylaminearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary amineacetamidearyl chloridechlorobenzeneazacycletertiary aliphatic aminecarboxamide grouparyl halideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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