Saquinavir mesylate

(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide;methanesulfonic acid

CAS: 149845-06-7

Molecular Formula	`C39H54N6O8S`
Molecular Weight	766.9 g/mol
Topological Polar Surface Area	230.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	13
Exact Mass	766.3724
Heavy Atoms	54
Complexity	1230.0

Chemical Identifiers

CAS Number	149845-06-7
SMILES	`CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O`
InChIKey	`IRHXGOXEBNJUSN-YOXDLBRISA-N`

📖 Product Overview

Saquinavir mesylate (CAS: 149845-06-7) is a chemical compound with molecular formula C39H54N6O8S and molecular weight 766.9 g/mol. Its IUPAC systematic name is (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide;methanesulfonic acid. Topological Polar Surface Area 230.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 13 Exact Mass 766.3724 Heavy Atoms 54 Complexity 1230.0 InChI Key: IRHXGOXEBNJUSN-YOXDLBRISA-N. SMILES: CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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