EMBL-EBI | Chemical Biology | ChEBI
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| Formula | Na.C26H26F3N2O3 |
| Net Charge | 0 |
| Average Mass | 494.489 |
| Monoisotopic Mass | 494.17932 |
| SMILES | O=C([O-])c1ccc(C2(NC(=O)[C@H]3CC4(CCN3Cc3ccc(C(F)(F)F)cc3)CC4)CC2)cc1.[Na+] |
| InChI | InChI=1S/C26H27F3N2O3.Na/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34;/h1-8,21H,9-16H2,(H,30,32)(H,33,34);/q;+1/p-1/t21-;/m1./s1 |
| InChIKey | QFXKJKJULRUGNT-ZMBIFBSDSA-M |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vorbipiprant sodium (CHEBI:760393) has role antineoplastic agent (CHEBI:35610) |
| vorbipiprant sodium (CHEBI:760393) is a piperidines (CHEBI:26151) |
| Synonyms | Source |
|---|---|
| CR6086 SODIUM SALT | ChEMBL |
| Vorbipiprant sodium | ChEMBL |