EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H6O3S.C10H11Cl2N3 |
| Net Charge | 0 |
| Average Mass | 402.303 |
| Monoisotopic Mass | 401.03677 |
| SMILES | O=S(=O)(O)c1ccccc1.[H][C@@]12CN[C@]1([H])CN(c1cnc(Cl)c(Cl)c1)C2 |
| InChI | InChI=1S/C10H11Cl2N3.C6H6O3S/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15;7-10(8,9)6-4-2-1-3-5-6/h1,3,6,9,13H,2,4-5H2;1-5H,(H,7,8,9)/t6-,9+;/m0./s1 |
| InChIKey | QDWNBBFBKYGQFG-RDNZEXAOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sofinicline benzenesulfonate (CHEBI:751553) is a organosulfur compound (CHEBI:33261) |
| sofinicline benzenesulfonate (CHEBI:751553) is a sulfonic acid derivative (CHEBI:33552) |
| Synonyms | Source |
|---|---|
| A-422894.112 | ChEMBL |
| Sofinicline benzenesulfonate | ChEMBL |
| Sofinicline benzenesulphonate | ChEMBL |
| Sofinicline besilate | ChEMBL |
| Sofinicline besylate | ChEMBL |