| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:56 UTC |
|---|
| Update Date | 2025-03-21 18:05:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00054906 |
|---|
| Frequency | 58.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H21ClN2O2 |
|---|
| Molecular Mass | 368.1292 |
|---|
| SMILES | O=C(O)CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
|---|
| InChI Key | LOFRLFRPUBFUJN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzocycloheptapyridines |
|---|
| Subclass | benzocycloheptapyridines |
|---|
| Direct Parent | benzocycloheptapyridines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundspiperidinespolyhalopyridinestrialkylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidpolyhalopyridineorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinetertiary aminearyl chlorideazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinearyl halidemonocarboxylic acid or derivativespyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
