Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

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
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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.