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Substance Name: Nelfinavir Mesylate [USAN]
RN: 159989-65-8
UNII: 98D603VP8V
InChIKey: NQHXCOAXSHGTIA-SKXNDZRYSA-N

Note

  • A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.

Molecular Formula

  • C32-H45-N3-O4-S.C-H4-O3-S

Molecular Weight

  • 663.8961
 

Classification Codes

  • Antiviral
  • Drug / Therapeutic Agent
  • Protease Inhibitor
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Names and Synonyms

Name of Substance

  • Nelfinavir mesylate
  • Nelfinavir Mesylate [USAN]

Synonyms

  • (3S,4aS,8aS)-N-tert-Butyl-2-((2R,3R)-3-(3,2-cresotamido)-2-hydroxy-4-(phenylthio)butyl)decahydro-3-isoquinolinecarboxamide monomethanesulfonate (salt)
  • AG 1343
  • AG1343
  • HSDB 7159
  • Nelfinavir mesylate
  • NFV
  • UNII-98D603VP8V
  • Viracept

Systematic Names

  • 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-((2R,3R)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-, (3S,4aS,8aS)-, monomethanesulfonate (salt)
  • 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-, (3S-(2(2,S*,3S*),3-alpha,4a-beta,8a-beta))-, monomethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 159989-65-8

FDA UNII

  • 98D603VP8V

Related Registry Number

  • 159989-64-7 (Parent)

System Generated Number

  • 0159989658

Molecular Formulas

Molecular Formula

  • C32-H45-N3-O4-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C32-H45-N3-O4-S
  • COMPONENT

Structure Descriptors

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

Smiles

Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 40, Pg. 3395, 1998.
rat LD oral > 500mg/kg (500mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 40, Pg. 3395, 1998.