EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C4H4O4.C30H38N4O3.H2O.H2O |
| Net Charge | 0 |
| Average Mass | 654.761 |
| Monoisotopic Mass | 654.32648 |
| SMILES | O.O.O=C(O)/C=C/C(=O)O.[H][C@@]12CN(C3CCOCC3)C[C@]1(c1ccc(-c3cnc(N)c(C(=O)NC45CCC(O)(CC4)CC5)c3)cc1)C2 |
| InChI | InChI=1S/C30H38N4O3.C4H4O4.2H2O/c31-26-25(27(35)33-28-7-10-29(36,11-8-28)12-9-28)15-21(17-32-26)20-1-3-22(4-2-20)30-16-23(30)18-34(19-30)24-5-13-37-14-6-24;5-3(6)1-2-4(7)8;;/h1-4,15,17,23-24,36H,5-14,16,18-19H2,(H2,31,32)(H,33,35);1-2H,(H,5,6)(H,7,8);2*1H2/b;2-1+;;/t23-,28?,29?,30+;;;/m1.../s1 |
| InChIKey | TYGOIKFMUXDYPB-NZTRXVCXSA-N |
| Roles Classification |
|---|
| Application: | anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| zilurgisertib fumarate (CHEBI:759278) has role anti-anaemic agent (CHEBI:75835) |
| zilurgisertib fumarate (CHEBI:759278) is a piperidines (CHEBI:26151) |
| Synonyms | Source |
|---|---|
| INCB000928 fumarate dihydrate | ChEMBL |
| INCB-000928 FUMARATE DIHYDRATE | ChEMBL |
| NBU-928 | ChEMBL |
| Zilurgisertib fumarate | ChEMBL |
| Zilurgisertib fumarate dihydrate | ChEMBL |