| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:20 UTC |
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| Update Date | 2025-03-21 18:29:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077351 |
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| Frequency | 38.0 |
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| Structure | |
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| Chemical Formula | C16H18BrClN2 |
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| Molecular Mass | 352.0342 |
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| SMILES | CN(C)CCC(c1ccc(Br)cc1)c1cc(Cl)ccn1 |
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| InChI Key | ZRQWYAGMQTYDFJ-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 bromidesaryl chloridesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganobromidesorganochloridesorganopnictogen compoundspolyhalopyridinestrialkylamines |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundpheniraminepolyhalopyridineorganochlorideorganohalogen compoundorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary aminearyl chlorideazacycleheteroaromatic compoundtertiary aliphatic aminebromobenzenemethylpyridinearyl halideorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideamine |
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