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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | atazanavir | |
| Synonyms |
ATZ atazanavirum 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 |
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB01072 PMID:24314017 PMID:17619250 PMID:17376023 PMID:25017682 Wikipedia:Atazanavir PMID:24108452 KEGG:D07471 Reaxys:8101951 CAS:198904-31-3 PMID:15156449 PMID:15645003 PMID:15737947 PMID:18389089 PMID:15353575
|
|
| 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).
|
|
| formula |
C38H52N6O7
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|
| 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
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|
| has_related_synonym |
ATZ atazanavirum atazanavir
|
|
| id |
CHEBI:37924
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|
| 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
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|
| inchikey |
AXRYRYVKAWYZBR-GASGPIRDSA-N
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|
| label |
atazanavir
|
|
| mass |
704.85550
|
|
| monoisotopicmass |
704.38975
|
|
| notation |
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
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| treeView | ||
| subClassOf |
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