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Substance Name: Saquinavir mesylate [USAN:USP]
RN: 149845-06-7
UNII: UHB9Z3841A
InChIKey: IRHXGOXEBNJUSN-YOXDLBRISA-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.

Molecular Formula

  • C38-H50-N6-O5.C-H4-O3-S

Molecular Weight

  • 766.9556
 

Classification Codes

  • Antiviral
  • Antiviral (COVID-19)
  • Protease Inhibitor
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Names and Synonyms

Name of Substance

  • Saquinavir mesylate [USAN:USP]

Synonyms

  • (S)-N-((alphaS)-alpha-((1R)-2-((3S,4aS,8aS)-3-(tert-Butylcarbamoyl)octahydro-2(1H)-isoquinolyl)-1-hydroxyethyl)phenethyl)-2-quinaldamidosuccinamide monomethanesulfonate (salt)
  • Fortovase
  • Invirase
  • Ro 31-8959/003
  • Saquinavir mesylate
  • Saquinavir monomethanesulfonate salt
  • SQV
  • UNII-UHB9Z3841A

Systematic Names

  • Butanediamide, N(sup 1)-(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,4abeta,8abeta))-, monomethanesulfonate (salt)
  • 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)-, monomethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 149845-06-7

FDA UNII

  • UHB9Z3841A

Related Registry Number

  • 127779-20-8 (Parent)

System Generated Number

  • 0149845067

Molecular Formulas

Molecular Formula

  • C38-H50-N6-O5.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C38-H50-N6-O5
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C38H50N6O5.CH4O3S/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;1-5(2,3)4/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);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1

InChIKey

IRHXGOXEBNJUSN-YOXDLBRISA-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.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD oral > 1680mg/kg (1680mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 40, Pg. 2183, 1998.
mouse LD intravenous > 20mg/kg (20mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 40, Pg. 2183, 1998.
mouse LD oral > 5gm/kg (5000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 40, Pg. 2183, 1998.
rat LD oral > 5gm/kg (5000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 40, Pg. 2183, 1998.