EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C19H26BrN3O3 |
| Net Charge | 0 |
| Average Mass | 424.339 |
| Monoisotopic Mass | 423.11575 |
| SMILES | CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@@H]1CO |
| InChI | InChI=1S/C19H26BrN3O3/c1-21-16-3-2-13(20)10-15(16)19-14(17(21)12-24)4-5-23(19)18(25)11-22-6-8-26-9-7-22/h2-3,10,14,17,19,24H,4-9,11-12H2,1H3/t14-,17-,19-/m0/s1 |
| InChIKey | FVZAMJIWWLWJHV-FNHZYXHNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(4-morpholinyl)ethanone (CHEBI:129166) is a pyrroloquinoline (CHEBI:50918) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40717 | LINCS |