| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:14 UTC |
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| Update Date | 2025-03-25 00:46:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156341 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16NS+ |
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| Molecular Mass | 242.0998 |
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| SMILES | C[N+]1(C)Cc2ccccc2Sc2ccccc21 |
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| InChI Key | ROMVHTZFXCCCOC-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 | aralkylaminesazacyclic compoundsbenzenoidsdiarylthioethershydrocarbon derivativesorganic cationsorganic saltsorganopnictogen compoundsquaternary ammonium salts |
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| Substituents | azacyclequaternary ammonium saltaryl thioetheraralkylaminedibenzothiazepinearomatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltaminediarylthioether |
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