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Coronavirus Infectious Disease Ontology
Last uploaded:
February 16, 2024
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| Id | http://purl.obolibrary.org/obo/CHEBI_7497
http://purl.obolibrary.org/obo/CHEBI_7497
|
|---|---|
| Preferred Name | nelfinavir mesylate |
| Definitions |
A methanesulfonate (mesylate) salt prepared from equimolar amounts of nelfinavir and methanesulfonic acid. It is used for treatment of HIV and also exhibits some anticancer properties.
|
| Synonyms |
Nelfinavir mesilate
nelfinavir mesylate
Viracept
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide methanesulfonate
(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinolinium methanesulfonate
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
nelfinavir mesylate
|
|---|---|
| prefLabel |
nelfinavir mesylate
|
| database_cross_reference |
KEGG:C08091
PMID:17046010
Reaxys:7407090
PMID:9397180
PMID:16189129
KEGG:D00899
PMID:20399586
CAS:159989-65-8
PMID:16545536
PMID:21392920
PMID:9607830
PMID:11106345
Wikipedia:Nelfinavir
PMID:23385634
PMID:19660105
PMID:10698844
PMID:18430402
PMID:19443141
PMID:10452644
DrugBank:DB00220
See more
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|
| notation |
CHEBI:7497
|
| in subset | |
| inchi |
InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1
|
| has_related_synonym |
Nelfinavir mesilate
nelfinavir mesylate
Viracept
|
| id |
CHEBI:7497
|
| has part | |
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| definition source |
PMID: 32374457
|
| textual definition |
A methanesulfonate (mesylate) salt prepared from equimolar amounts of nelfinavir and methanesulfonic acid. It is used for treatment of HIV and also exhibits some anticancer properties.
|
| formula |
C32H45N3O4S.CH4O3S
C33H49N3O7S2
|
| subClassOf | |
| imported from | |
| inchikey |
NQHXCOAXSHGTIA-SKXNDZRYSA-N
|
| mass |
663.88800
|
| monoisotopicmass |
663.30119
|
| type | |
| smiles |
CS(O)(=O)=O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
|
| has role | |
| has exact synonym |
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide methanesulfonate
(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinolinium methanesulfonate
|
| alternative term |
Nelfinavir mesilate
nelfinavir mesylate
Viracept
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide methanesulfonate
(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinolinium methanesulfonate
|
| chemical effective in vitro against virus | |
| chemical inhibits in vitro invasion of virus |
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