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3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-,(3S,4aS,8aS)- (159989-64-7)

Identification
Name:3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-,(3S,4aS,8aS)-
Synonyms:3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)decahydro-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-,[3S-[2(2S*,3S*),3a,4ab,8ab]]-;AG 1341;Nelfinavir;
CAS:159989-64-7
Molecular Formula: C32H45N3O4S
Molecular Weight: 567.7824
InChI: InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
Molecular Structure: (C32H45N3O4S) 3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)decahydro-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)...
Properties
Transport:OTH
Flash Point: 429.7°C
Boiling Point: 786.8°C at 760 mmHg
Density:1.22g/cm3
Refractive index:1.618
Water Solubility:Insoluble (soluble in lower alcohol)
Solubility:Insoluble (soluble in lower alcohol)
Appearance:white to off-white crystalline powder
Flash Point: 429.7°C
Safety Data
Hazard Symbols
 

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