| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:17 UTC |
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| Update Date | 2025-03-21 18:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024971 |
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| Frequency | 155.1 |
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| Structure | |
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| Chemical Formula | C18H23BrN2 |
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| Molecular Mass | 346.1045 |
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| SMILES | CCN(CC)CCC(c1ccc(Br)cc1)c1ccccn1 |
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| InChI Key | BNDFVDRZIMTXHG-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 | pyridines and derivatives |
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| Subclass | pheniramines |
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| Direct Parent | pheniramines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganobromidesorganopnictogen compoundstrialkylamines |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundpheniramineazacycleheteroaromatic compoundtertiary aliphatic aminebromobenzenemethylpyridineorganohalogen compoundaryl halideorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundhalobenzenearyl bromideaminetertiary amine |
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