EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C4H4O4.C4H4O4.C32H47FN6O4S.C32H47FN6O4S.C4H4O4 |
| Net Charge | 0 |
| Average Mass | 1609.878 |
| Monoisotopic Mass | 1608.70558 |
| SMILES | CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C.CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O |
| InChI | InChI=1S/2C32H47FN6O4S.3C4H4O4/c2*1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2;3*5-3(6)1-2-4(7)8/h2*9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*24-,26-;;; |
| InChIKey | AXNUWYROYVRYIM-OQIJCFCCSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| revumenib sesquifumarate (CHEBI:758184) has functional parent pentacarboxylic acid (CHEBI:35743) |
| revumenib sesquifumarate (CHEBI:758184) has role antineoplastic agent (CHEBI:35610) |
| revumenib sesquifumarate (CHEBI:758184) is a organooxygen compound (CHEBI:36963) |
| Synonyms | Source |
|---|---|
| Revumenib sesquifumarate | ChEMBL |
| SNDX-50613 | ChEMBL |
| SNDX50613 | ChEMBL |
| Sndx 5613 | ChEMBL |
| Sndx-5613 | ChEMBL |
| SNDX5613 | ChEMBL |