| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:58 UTC |
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| Update Date | 2025-03-25 00:57:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222110 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H25N5S |
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| Molecular Mass | 487.1831 |
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| SMILES | c1ccc2c(c1)N=C(N1CCN(C3=Nc4ccccc4Sc4ccccc43)CC1)c1ccccc1N2 |
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| InChI Key | KUSRCIGKTZEQIA-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 | 1,4-benzodiazepinesamidinesazacyclic compoundsbenzenoidsdiarylthioethersdibenzodiazepineshydrocarbon derivativesimidolactamsorganopnictogen compoundspiperazinespropargyl-type 1,3-dipolar organic compoundssecondary amines |
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| Substituents | amidinearyl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepinepiperazinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamdiarylthioetherazacyclebenzodiazepineorganic 1,3-dipolar compoundsecondary amine1,4-benzodiazepinethioether1,4-diazinanehydrocarbon derivativedibenzodiazepinebenzenoidorganic nitrogen compoundamine |
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