loading...| Preferred Name | nelfinavir mesylate | |
| 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 |
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| 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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_7497 |
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| charge |
0 |
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| 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 |
|
| 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 |
C33H49N3O7S2 C32H45N3O4S.CH4O3S |
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| has part | ||
| 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 |
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| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
nelfinavir mesylate Viracept Nelfinavir mesilate |
|
| id |
CHEBI:7497 |
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| 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 |
|
| inchikey |
NQHXCOAXSHGTIA-SKXNDZRYSA-N |
|
| label |
nelfinavir mesylate |
|
| mass |
663.88800 |
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| monoisotopicmass |
663.30119 |
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| notation |
CHEBI:7497 |
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| prefLabel |
nelfinavir mesylate |
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| 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 |
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| treeView | ||
| subClassOf |