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CHEBI:169508 - n-Demethylated piperazine
| Formula | C28H29N7O |
| Net Charge | 0 |
| Average Mass | 479.588 |
| Monoisotopic Mass | 479.24336 |
| SMILES | Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 |
| InChI | InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34) |
| InChIKey | BQQYXPHRXIZMDM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| n-Demethylated piperazine (CHEBI:169508) is a benzamides (CHEBI:22702) |
| IUPAC Name |
|---|
| N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide |
| Manual Xrefs | Databases |
|---|---|
| 8045428 | ChemSpider |
| HMDB0060621 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:404844-02-6 | ChemIDplus |