| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:03 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244897 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H25IN2O |
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| Molecular Mass | 436.1012 |
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| SMILES | CN(C)CCCC1(c2ccc(I)cc2)NCCc2cc(O)ccc21 |
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| InChI Key | QZRGWZGIMBTIFM-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl iodidesazacyclic compoundsdialkylamineshydrocarbon derivativesiodobenzenesorganoiodidesorganooxygen compoundsorganopnictogen compoundsphenylbutylaminestrialkylamines |
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| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzene1-phenyltetrahydroisoquinolineorganoiodidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary aminesecondary aliphatic amineazacycletertiary aliphatic aminesecondary aminearyl halideorganic oxygen compoundhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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