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Substance Name: Saquinavir [USAN:USP:INN:BAN]
RN: 127779-20-8
UNII: L3JE09KZ2F
InChIKey: QWAXKHKRTORLEM-UGJKXSETSA-N

Note

  • An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.

Molecular Formula

  • C38-H50-N6-O5

Molecular Weight

  • 670.85
 

Classification Codes

  • Anti-HIV Agents
  • Anti-Infective Agents
  • Anti-Retroviral Agents
  • Antiviral (HIV Protease Inhibitor)
  • Antiviral Agents
  • Cytochrome P-450 CYP3A Inhibitors
  • Cytochrome P-450 Enzyme Inhibitors
  • Enzyme Inhibitors
  • HIV Protease Inhibitors
  • Metabolic Side Effects of Drugs and Substances
  • Protease Inhibitors

Names and Synonyms

Name of Substance

  • Saquinavir
  • Saquinavir [USAN:USP:INN:BAN]

MeSH Heading

  • Saquinavir

Synonyms

  • (3S-(2(1R*(R*),2S*),3I,4athetav,8athetav))-N(sup 1)-(3-(3-(((1,1-Dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)butanediamide
  • (S)-N-((IS)-I-((1R)-2-((3S,4aS,8aS)-3-(tert-Butylcarbamoyl)octahydro-2(1H)-isoquinolyl)-1-hydroxyethyl)phenethyl)-2-quinaldamidosuccinamide
  • Fortovase
  • HSDB 7161
  • Invirase
  • Ro 31 8959
  • Ro 31-8959
  • Ro 31-8959/000
  • Ro 318959
  • Saquinavir
  • Sch 52852
  • UNII-L3JE09KZ2F

Systematic Names

  • Butanediamide, N1-((1S,2R)-3-((3S,4aS,8aS)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-
  • Butanediamide, N1-(3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (3S-(2(1R*(R*),2S*),3alpha,4aalpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 127779-20-8

FDA UNII

  • L3JE09KZ2F

Other Registry Number

  • 131176-13-1

Related Registry Number

  • 149845-06-7 (monomethanesulfonate (salt))

System Generated Number

  • 0127779208

Structure Descriptors

InChI

1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1

InChIKey

QWAXKHKRTORLEM-UGJKXSETSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4