loading...| Preferred Name | Atazanavir | |
| Synonyms |
atazanavirum ATZ atazanavir dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate |
|
| Definitions |
A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_37924 |
|
| alternative term |
atazanavirum ATZ atazanavir dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate |
|
| bearer_of | ||
| charge |
0 |
|
| database_cross_reference |
PMID:15156449 PMID:15645003 KEGG:D07471 DrugBank:DB01072 PMID:25017682 Reaxys:8101951 PMID:18389089 PMID:24314017 PMID:15737947 PMID:24108452 PMID:15353575 CAS:198904-31-3 PMID:17376023 Wikipedia:Atazanavir PMID:17619250 |
|
| formula |
C38H52N6O7 |
|
| has role | ||
| has_exact_synonym |
dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
atazanavirum ATZ atazanavir |
|
| has_RxCUI |
343047 |
|
| id |
CHEBI:37924 |
|
| in_subset | ||
| inchi |
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1 |
|
| inchikey |
AXRYRYVKAWYZBR-GASGPIRDSA-N |
|
| label |
atazanavir Atazanavir |
|
| mass |
704.85550 |
|
| monoisotopicmass |
704.38975 |
|
| notation |
CHEBI:37924 |
|
| prefixIRI |
CHEBI:37924 |
|
| prefLabel |
Atazanavir |
|
| smiles |
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |
|
| textual definition |
A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV). |
|
| subClassOf |