EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:749377 - darunavir ethanolate
| Formula | C2H6O.C27H37N3O7S |
| Net Charge | 0 |
| Average Mass | 593.743 |
| Monoisotopic Mass | 593.27709 |
| SMILES | CCO.[H][C@]12OCC[C@@]1([H])[C@@H](OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)CO2 |
| InChI | InChI=1S/C27H37N3O7S.C2H6O/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26;1-2-3/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);3H,2H2,1H3/t22-,23-,24+,25-,26+;/m0./s1 |
| InChIKey | QWSHKNICRJHQCY-VBTXLZOXSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. |
| Application: | antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| darunavir ethanolate (CHEBI:749377) has role anti-HIV agent (CHEBI:64946) |
| darunavir ethanolate (CHEBI:749377) has role antiinfective agent (CHEBI:35441) |
| darunavir ethanolate (CHEBI:749377) is a benzenes (CHEBI:22712) |
| darunavir ethanolate (CHEBI:749377) is a organic amino compound (CHEBI:50047) |
| Synonyms | Source |
|---|---|
| Darunavir (as ethanolate) | ChEMBL |
| Darunavir monoethanolate | ChEMBL |
| Rezolsta | ChEMBL |
| Tmc114 ethanolate | ChEMBL |
| Brand Names | Source |
|---|---|
| Darunavir ethanolate component of prezcobix | ChEMBL |
| Darunavir ethanolate component of symtuza darunavir | ChEMBL |