| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:06 UTC |
|---|
| Update Date | 2025-03-25 00:46:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153716 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C26H28Cl2N4O5S |
|---|
| Molecular Mass | 578.1157 |
|---|
| SMILES | CS(=O)C(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 |
|---|
| InChI Key | ZMZDGSXDURLFDV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazinanes |
|---|
| Subclass | piperazines |
|---|
| Direct Parent | phenylpiperazines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-dioxolanesalkyl aryl ethersaminophenyl ethersaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundsdialkylarylaminesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-arylpiperazinesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssulfinyl compoundssulfoxidesthiolactones |
|---|
| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolanecarbonyl groupetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganosulfur compoundorganohalogen compound1,3-dichlorobenzeneorganic oxideacetalsulfinyl compoundimidazoleketaltertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl etherthiolactonetertiary amineazolen-substituted imidazolearyl chloridechlorobenzenecarbonic acid derivativeazacycleaniline or substituted anilinesheteroaromatic compoundaryl halidephenylpiperazineoxacycleorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaminen-arylpiperazineorganooxygen compound |
|---|
