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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organosulfonate salt > methanesulfonate salt > nelfinavir mesylate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfonate salt > methanesulfonate salt > nelfinavir mesylate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > methanesulfonates > methanesulfonate salt > nelfinavir mesylate

Preferred term

nelfinavir mesylate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H45N3O4S.CH4O3S
  • C33H49N3O7S2

has_part

has_role

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

mass

  • 663.88800

monoisotopicmass

  • 663.30119

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

subset

  • 3_STAR

synonym EXACT

  • (3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinolinium methanesulfonate
  • (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide methanesulfonate

synonym RELATED

  • Nelfinavir mesilate
  • nelfinavir mesylate
  • Viracept

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:7497

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