| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:38 UTC |
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| Update Date | 2025-03-25 00:48:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15ClN2O2 |
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| Molecular Mass | 242.0822 |
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| SMILES | CC(=O)NC(CN)Cc1ccc(O)c(Cl)c1 |
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| InChI Key | FAGOXANOKADESK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativesmonoalkylamineso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouporganochloride1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideamphetamine or derivativesaryl chloride2-chlorophenolchlorobenzenecarboxamide grouparyl halidearomatic homomonocyclic compound2-halophenolsecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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