Chemical Compound

Nelfinavir mesylate

CAS Registry Number 159989-65-8
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Nelfinavir mesylate chemical structure
Primary Record

Nelfinavir mesylate

In stock
6,997 g
Purity
99.3 %
CAS
159989-65-8

Compound Identifiers & Properties

CAS
159989-65-8
PubChem CID
76973791
SMILES
CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O.O
Canonical 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.O

Names & Synonyms

  • Nelfinavir mesylate
  • Nelfinavir mesylate hydrate
  • DTXSID2033736
  • SCHEMBL23781848
  • DTXCID601477080
  • Tox21_111021
  • Tox21_200921
  • MFCD32691436
  • Tox21_111021_1
  • NCGC00090782-03
  • NCGC00090782-06
  • NCGC00258475-01
  • CAS-159989-65-8
  • 159989-65-8
  • (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;methanesulfonic acid;hydrate
  • Methanesulfonic acid--(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide--water (1/1/1)