| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:13 UTC |
|---|
| Update Date | 2025-03-25 00:54:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206293 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H25Cl2N3O4 |
|---|
| Molecular Mass | 477.1222 |
|---|
| SMILES | NC(CO)Cc1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)c(Cl)c3)O2)cc1 |
|---|
| InChI Key | DWQBLNPIMFXCRB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenethylamines |
|---|
| Direct Parent | amphetamines and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-dioxolanesalkyl aryl ethersaryl chloridesazacyclic compoundsdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsmonoalkylaminesn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsprimary alcohols |
|---|
| Substituents | phenol ethermeta-dioxolaneetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compoundacetalimidazoleketalorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzeneprimary alcoholorganoheterocyclic compoundamphetamine or derivativesazolen-substituted imidazolearyl chloridechlorobenzenealcoholazacycleheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
|---|
