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CHEBI:5899 - indinavir sulfate
| Formula | C36H47N5O4.H2O4S |
| Net Charge | 0 |
| Average Mass | 711.882 |
| Monoisotopic Mass | 711.33018 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O=S(=O)(O)O |
| InChI | InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1 |
| InChIKey | NUBQKPWHXMGDLP-BDEHJDMKSA-N |
| Roles Classification |
|---|
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| indinavir sulfate (CHEBI:5899) has functional parent indinavir (CHEBI:44032) |
| indinavir sulfate (CHEBI:5899) has role anti-HIV agent (CHEBI:64946) |
| indinavir sulfate (CHEBI:5899) has role antibacterial agent (CHEBI:33282) |
| indinavir sulfate (CHEBI:5899) has role antihypertensive agent (CHEBI:35674) |
| indinavir sulfate (CHEBI:5899) has role antineoplastic agent (CHEBI:35610) |
| indinavir sulfate (CHEBI:5899) is a azaheterocycle sulfate salt (CHEBI:38017) |
| Synonyms | Source |
|---|---|
| Indinaviri sulfas | ChEMBL |
| Indinavir sulfate | KEGG COMPOUND |
| Indinavir sulfate ethanolate | ChEMBL |
| L-735,524 | ChEMBL |
| L-735524 | ChEMBL |
| MK-639 | ChEMBL |
| Citations |
|---|