| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:25 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152123 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H25Cl2N3O4 |
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| Molecular Mass | 477.1222 |
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| SMILES | NC(CO)Cc1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 |
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| InChI Key | BTYBCDDNYCGHPN-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl aryl ethersaryl chloridesazacyclic compoundsdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsmonoalkylaminesn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsprimary alcohols |
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| Substituents | phenol ethermeta-dioxolaneetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneacetalimidazoleketalorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundamphetamine or derivativesazolen-substituted imidazolearyl chloridechlorobenzenealcoholazacycleheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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