3-(((2R,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(phenylthio)butan-2-yl)carbamoyl)-2-Methylphenyl acetate

Modify Date: 2024-04-08 09:19:46

3-(((2R,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(phenylthio)butan-2-yl)carbamoyl)-2-Methylphenyl acetate Structure
3-(((2R,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(phenylthio)butan-2-yl)carbamoyl)-2-Methylphenyl acetate structure
Common Name 3-(((2R,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(phenylthio)butan-2-yl)carbamoyl)-2-Methylphenyl acetate
CAS Number 245414-50-0 Molecular Weight 609.819
Density 1.2±0.1 g/cm3 Boiling Point 793.1±60.0 °C at 760 mmHg
Molecular Formula C34H47N3O5S Melting Point N/A
MSDS N/A Flash Point 433.5±32.9 °C

 Names

Name 3-{[(2R,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-(phenylsulfanyl)-2-butanyl]carbamoyl}-2-methylphenyl acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 793.1±60.0 °C at 760 mmHg
Molecular Formula C34H47N3O5S
Molecular Weight 609.819
Flash Point 433.5±32.9 °C
Exact Mass 609.323669
LogP 6.91
Vapour Pressure 0.0±2.9 mmHg at 25°C
Index of Refraction 1.603

 Synonyms

3-Isoquinolinecarboxamide, 2-[(2R,3R)-3-[[3-(acetyloxy)-2-methylbenzoyl]amino]-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-
3-{[(2R,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-(phenylsulfanyl)-2-butanyl]carbamoyl}-2-methylphenyl acetate
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