| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:09 UTC |
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| Update Date | 2025-03-21 18:40:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129795 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C22H33N3O3S |
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| Molecular Mass | 419.2243 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)N(C)C)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | GSNYEFLFMVOZDY-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcoholstrialkylamines |
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| Substituents | organosulfonic acid or derivativesorganosulfur compoundorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary amineamphetamine or derivativesbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compound1,2-aminoalcoholtertiary aliphatic aminearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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