| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:09 UTC |
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| Update Date | 2025-03-25 00:51:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190242 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H19N3O3S |
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| Molecular Mass | 369.1147 |
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| SMILES | CC(=O)N1CCN(C2=Nc3ccccc3S(=O)(=O)c3ccccc32)CC1 |
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| InChI Key | QQAOSVWUFSZVLM-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 | benzothiazepines |
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| Subclass | dibenzothiazepines |
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| Direct Parent | dibenzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesamidinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspiperazinespropargyl-type 1,3-dipolar organic compoundssulfonestertiary carboxylic acid amides |
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| Substituents | carbonyl groupamidinecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddibenzothiazepineorganic oxidepiperazinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundimidolactamacetamideazacycleorganic 1,3-dipolar compoundcarboxamide grouporganic oxygen compound1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundsulfone |
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