EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H13N3O2 |
| Net Charge | 0 |
| Average Mass | 231.255 |
| Monoisotopic Mass | 231.10078 |
| SMILES | Cc1cc(C(=O)NNCc2ccccc2)no1 |
| InChI | InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16) |
| InChIKey | XKFPYPQQHFEXRZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methyl-N'-(phenylmethyl)-3-isoxazolecarbohydrazide (CHEBI:93635) is a benzenes (CHEBI:22712) |
| Synonyms | Source |
|---|---|
| Ro 5-0831/1 | DrugCentral |
| isocarboxyzid | DrugCentral |
| marplan | DrugCentral |
| isocarboxazide | DrugCentral |
| benazide | DrugCentral |
| Ro 5-0831 | DrugCentral |
| Manual Xrefs | Databases |
|---|---|
| LSM-4101 | LINCS |
| 1490 | DrugCentral |
| HMDB0015377 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:59-63-2 | DrugCentral |