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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 mesylate
Viracept
Nelfinavir mesilate
(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

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.
label
nelfinavir mesylate
prefLabel
nelfinavir mesylate
database_cross_reference
PMID:16189129
PMID:10698844
PMID:20399586
PMID:16545536
PMID:19660105
PMID:19443141
PMID:10452644
CAS:159989-65-8
Wikipedia:Nelfinavir
PMID:11106345
PMID:17046010
Reaxys:7407090
DrugBank:DB00220
KEGG:D00899
PMID:21392920
PMID:23385634
KEGG:C08091
PMID:9397180
PMID:9607830
PMID:18430402
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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 mesylate
Viracept
Nelfinavir mesilate
id
CHEBI:7497
has part
charge
0
has_obo_namespace
chebi_ontology
definition source
PMID: 32374457
formula
C33H49N3O7S2
C32H45N3O4S.CH4O3S
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
chemical effective in vitro against virus
chemical inhibits in vitro invasion of virus
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