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CHEBI:85178 - dasabuvir sodium hydrate
| Formula | C26H26N3O5S.H2O.Na |
| Net Charge | 0 |
| Average Mass | 533.582 |
| Monoisotopic Mass | 533.15965 |
| SMILES | COc1c(-c2ccc3cc([N-]S(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)nc2=O)cc1C(C)(C)C.O.[Na+] |
| InChI | InChI=1S/C26H26N3O5S.Na.H2O/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;;/h6-15H,1-5H3,(H,27,30,31);;1H2/q-1;+1; |
| InChIKey | OGXIDVVYYFRBGF-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | nonnucleoside hepatitis C virus polymerase inhibitor Any inhibitor of nonnucleoside hepatitis C virus polymerase. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. |
| Application: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| dasabuvir sodium hydrate (CHEBI:85178) has part dasabuvir sodium (CHEBI:85179) |
| dasabuvir sodium hydrate (CHEBI:85178) has role antiviral drug (CHEBI:36044) |
| dasabuvir sodium hydrate (CHEBI:85178) has role nonnucleoside hepatitis C virus polymerase inhibitor (CHEBI:85180) |
| dasabuvir sodium hydrate (CHEBI:85178) is a hydrate (CHEBI:35505) |
| Incoming Relation(s) |
| Viekira Pak (CHEBI:85177) has part dasabuvir sodium hydrate (CHEBI:85178) |
| IUPAC Name |
|---|
| sodium {6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}(methanesulfonyl)azanide—water (1/1/1) |
| Synonyms | Source |
|---|---|
| ABT-333 sodium monohydrate | ChemIDplus |
| Dasabuvir sodium monohydrate | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| CAS:1456607-55-8 | ChemIDplus |
| Citations |
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