EMBL-EBI | Chemical Biology | ChEBI
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| Formula | Na.C19H19N2O2.C3H8O3 |
| Net Charge | 0 |
| Average Mass | 422.457 |
| Monoisotopic Mass | 422.18177 |
| SMILES | CCCCc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O.OCC(O)CO.[Na+] |
| InChI | InChI=1S/C19H20N2O2.C3H8O3.Na/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;4-1-3(6)2-5;/h4-13,22H,2-3,14H2,1H3;3-6H,1-2H2;/q;;+1/p-1 |
| InChIKey | TVGNJNYKOTWAJQ-UHFFFAOYSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phenbutazone sodium glycerate (CHEBI:752684) is a pyrazoles (CHEBI:26410) |
| phenbutazone sodium glycerate (CHEBI:752684) is a ring assembly (CHEBI:36820) |
| Synonyms | Source |
|---|---|
| G 26,872 | ChEMBL |
| G-26872 | ChEMBL |
| Phenbutazone sodium glycerate | ChEMBL |