| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:42 UTC |
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| Update Date | 2025-03-25 00:53:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198254 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18N2O |
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| Molecular Mass | 278.1419 |
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| SMILES | Cc1ccc(C2=NCC(=O)Nc3cc(C)c(C)cc32)cc1 |
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| InChI Key | APKYUHAEHYQNMX-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 | benzodiazepines |
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| Subclass | 1,4-benzodiazepines |
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| Direct Parent | 1,4-benzodiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidestoluenes |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl grouplactamiminealpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundazacycleorganic 1,3-dipolar compoundcarboxamide group1,4-benzodiazepinesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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