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CHEBI:755763 - upadacitinib tartrate
| Formula | H2O.C17H19F3N6O.C4H6O6.H2O.H2O.H2O |
| Net Charge | 0 |
| Average Mass | 602.520 |
| Monoisotopic Mass | 602.21594 |
| SMILES | CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3nccc3n12.O.O.O.O.O=C(O)C(O)C(O)C(=O)O |
| InChI | InChI=1S/C17H19F3N6O.C4H6O6.4H2O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15;5-1(3(7)8)2(6)4(9)10;;;;/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27);1-2,5-6H,(H,7,8)(H,9,10);4*1H2/t10-,11+;;;;;/m1...../s1 |
| InChIKey | LATZVDXOTDYECD-UFTFXDLESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| upadacitinib tartrate (CHEBI:755763) is a pyrrolopyrazine (CHEBI:48337) |
| Synonyms | Source |
|---|---|
| ABT-494 TARTRATE TETRAHYDRATE | ChEMBL |
| Upadacitinib tartrate | ChEMBL |