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CHEBI:750398 - lifitegrast sodium
| Formula | Na.C29H23Cl2N2O7S |
| Net Charge | 0 |
| Average Mass | 637.473 |
| Monoisotopic Mass | 636.05007 |
| SMILES | CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1.[Na+] |
| InChI | InChI=1S/C29H24Cl2N2O7S.Na/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18;/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37);/q;+1/p-1/t23-;/m0./s1 |
| InChIKey | BPWOKOSRORLLIN-BQAIUKQQSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lifitegrast sodium (CHEBI:750398) is a phenylalanine derivative (CHEBI:25985) |
| Synonyms | Source |
|---|---|
| Lifitegrast sodium | ChEMBL |
| SAR-1118-023 | ChEMBL |
| Citations |
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