| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:12 UTC |
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| Update Date | 2025-03-21 18:02:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041398 |
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| Frequency | 83.0 |
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| Structure | |
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| Chemical Formula | C19H18N2O2S |
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| Molecular Mass | 338.1089 |
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| SMILES | O=C(O)C1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
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| InChI Key | KLOGUZMBJCUBJB-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 | amidinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiarylthioethershydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidamidinecarboxylic acid derivativearyl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidineimidolactamdiarylthioetherazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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