EMBL-EBI | Chemical Biology | ChEBI
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| Formula | H2O4S.C24H33FN7O7P.C24H33FN7O7P |
| Net Charge | 0 |
| Average Mass | 1261.163 |
| Monoisotopic Mass | 1260.40000 |
| SMILES | CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.O=S(=O)(O)O |
| InChI | InChI=1S/2C24H33FN7O7P.H2O4S/c2*1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32;1-5(2,3)4/h2*6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30);(H2,1,2,3,4)/t2*14-,16+,18+,22+,24+,40?;/m00./s1 |
| InChIKey | QIGYBLSWYRTXCA-ZTVMIBNESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bemnifosbuvir sulfate (CHEBI:758623) has role anticoronaviral agent (CHEBI:149553) |
| bemnifosbuvir sulfate (CHEBI:758623) has role antiviral agent (CHEBI:22587) |
| bemnifosbuvir sulfate (CHEBI:758623) has role renoprotective agent (CHEBI:231911) |
| bemnifosbuvir sulfate (CHEBI:758623) is a organic molecular entity (CHEBI:50860) |
| bemnifosbuvir sulfate (CHEBI:758623) is a α-amino acid ester (CHEBI:46874) |
| Synonyms | Source |
|---|---|
| AT-511-hemisulfate salt | ChEMBL |
| At 527 | ChEMBL |
| AT-527 | ChEMBL |
| AT527 | ChEMBL |
| Bemnifosbuvir hemisulfate | ChEMBL |
| Bemnifosbuvir sulfate | ChEMBL |