EMBL-EBI | Chemical Biology | ChEBI
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| Formula | HCl.C25H36N4O5S |
| Net Charge | 0 |
| Average Mass | 541.114 |
| Monoisotopic Mass | 540.21732 |
| SMILES | Cl.[H][C@]12CC[C@]([H])(C[C@H](NC(=O)c3cc4ccccc4n(C(C)C)c3=O)C1)N2C[C@@H](O)CN(C)S(C)(=O)=O |
| InChI | InChI=1S/C25H36N4O5S.ClH/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34;/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31);1H/t18-,19+,20-,21-;/m0./s1 |
| InChIKey | BLIKSWRONBYRDD-ULYYJTHRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| velusetrag hydrochloride (CHEBI:751558) is a aromatic amide (CHEBI:62733) |
| velusetrag hydrochloride (CHEBI:751558) is a quinolines (CHEBI:26513) |
| Synonyms | Source |
|---|---|
| Velusetrag hcl | ChEMBL |
| Velusetrag hydrochloride | ChEMBL |