EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C4H6O4.C40H42ClN5O7 |
| Net Charge | 0 |
| Average Mass | 858.345 |
| Monoisotopic Mass | 857.30389 |
| SMILES | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2nc(=O)ccc12.O=C(O)CCC(=O)O |
| InChI | InChI=1S/C40H42ClN5O7.C4H6O4/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25;5-3(6)1-2-4(7)8/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49);1-2H2,(H,5,6)(H,7,8)/t35-;/m0./s1 |
| InChIKey | BDWHLFQPZLPCIZ-XLQCLRHOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| batefenterol succinate (CHEBI:755064) is a quinolines (CHEBI:26513) |
| Synonyms | Source |
|---|---|
| Batefenterol succinate | ChEMBL |
| GSK-961081D | ChEMBL |
| GSK961081D | ChEMBL |