| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:29 UTC |
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| Update Date | 2025-03-25 00:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227669 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21N3OS |
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| Molecular Mass | 339.1405 |
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| SMILES | CC(=O)N(CCN(C)C)C1=Nc2ccccc2Sc2ccccc21 |
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| InChI Key | STESKHWIQMBCPP-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 | acetamidesamino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdiarylthioethershydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstrialkylamines |
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| Substituents | carbonyl groupamino acid or derivativescarboxylic acid derivativearyl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineacetamidediarylthioetherazacycletertiary aliphatic amineorganic 1,3-dipolar compoundorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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