| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:22 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179351 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18ClNO |
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| Molecular Mass | 287.1077 |
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| SMILES | COc1ccc2c(c1)CCN(C)C2c1cccc(Cl)c1 |
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| InChI Key | HCRYYWNPILXNMF-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 | alkyl aryl ethersanisolesaralkylaminesaryl chloridesazacyclic compoundschlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetherorganochloridealkyl aryl etherorganohalogen compoundaralkylamine1-phenyltetrahydroisoquinolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzeneazacycletertiary aliphatic aminearyl halideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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