| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:48 UTC |
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| Update Date | 2025-03-21 18:31:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085660 |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C22H27N3O4 |
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| Molecular Mass | 397.2002 |
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| SMILES | COc1ccc(C2Nc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | MLXCFMZCRIXVAF-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 | benzodiazepines |
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| Direct Parent | benzodiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepinesalkyl aryl ethersanisolesazacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alkylarylaminestertiary carboxylic acid amidestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamamino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary amineazacyclebenzodiazepinetertiary aliphatic aminesecondary aminecarboxamide groupmethoxybenzenebeta amino acid or derivativessecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespara-diazepineorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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