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Substance Name: Nelfinavir [INN:BAN]
RN: 159989-64-7
UNII: HO3OGH5D7I
InChIKey: QAGYKUNXZHXKMR-HKWSIXNMSA-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

Molecular Weight

  • 567.7905
 

Classification Codes

  • Anti-HIV Agents
  • Anti-Infective Agents
  • Anti-Retroviral Agents
  • Antiviral (COVID-19)
  • Antiviral Agents
  • Enzyme Inhibitors
  • HIV Protease Inhibitors
  • Protease Inhibitors
  • Viral Protease Inhibitors

Names and Synonyms

Name of Substance

  • Nelfinavir
  • Nelfinavir [INN:BAN]

MeSH Heading

  • Nelfinavir

Synonyms

  • (3S-(2(2S*,3S*),3alpha,4abeta,8abeta))-N-(1,1-Dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-3-isoquinolinecarboxamide
  • AG 1343
  • AG-1343
  • N-(1,1-Dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-3-isoquinolinecarboxamide (3S-(2(2S*,3S*),3alpha,4abeta,8abeta))-
  • Nelfinavir
  • NSC 747167
  • UNII-HO3OGH5D7I
  • 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)-
  • 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-, (3S-(2-(2S*,3S*),3-alpha,4a-beta,8a-beta))-

Registry Numbers

CAS Registry Number

  • 159989-64-7

FDA UNII

  • HO3OGH5D7I

Related Registry Number

  • 159989-65-8 (monomethane sulfonate (salt))

System Generated Number

  • 0159989647

Structure Descriptors

InChI

InChI=1S/C32H45N3O4S/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/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)/t22-,23+,26-,27-,29+/m0/s1

InChIKey

QAGYKUNXZHXKMR-HKWSIXNMSA-N

Smiles

Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 5gm/kg (5000mg/kg)   Toxicologist. Vol. 42, Pg. 55, 1998.