EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H26BrN3O |
| Net Charge | 0 |
| Average Mass | 416.363 |
| Monoisotopic Mass | 415.12592 |
| SMILES | OC[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 |
| InChI | InChI=1S/C21H26BrN3O/c22-17-8-6-16(7-9-17)21-19-14-24(13-18-5-1-2-10-23-18)11-3-4-12-25(19)20(21)15-26/h1-2,5-10,19-21,26H,3-4,11-15H2/t19-,20+,21+/m0/s1 |
| InChIKey | HJWSQNVGAXLPTC-PWRODBHTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(8R,9R,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:128708) is a azetidines (CHEBI:38777) |
| [(8R,9R,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:128708) is a benzenes (CHEBI:22712) |
| [(8R,9R,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:128708) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40262 | LINCS |