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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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Formulas
- Structure Descriptors
- Toxicity
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./s1InChIKey
IRHXGOXEBNJUSN-YOXDLBRISA-NSmiles
CC(C)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. |