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Nelfinavir

Nelfinavir / CAS : 159989-64-7

Appearance White to grayish white crystalline powder UN 0.0
HS 0.0 DG Class 0.0
Synonyms Viracept (Tn); Nelfinavir (Inn); Nelfinavir Monomethane Sulfonate; Viracept; [3H]-Nelfinavir; [14C]-Nelfinavir; (3S,4As,8As)-2-[(2R,3R)-2-Hydroxy-3-(3-Hydroxy-2-Methylbenzoylamino)-4-Phenylthiobutyl]Decahydroisoquinoline-3-Carboxylic Acid T-Butylamide; (3S,4As,8As)-N-Tert-Butyl-2-[(2R,3R)-2-Hydroxy-3-[(3-Hydroxy-2-Methylbenzoyl)Amino]-4-Phenylsulfanylbutyl]-3,4,4A,5,6,7,8,8A-Octahydro-1H-Isoquinoline-3-Carboxamide; [3S-(3R*,4Ar*,8Ar*,2'S*,3'S*)]-2-[2'-Hydroxy-3'-Phenylthiomethyl-4'-Aza-5'-Oxo-5'-(2''-Methyl-3''-Hydroxyphenyl)Pentyl]Decahydroisoquinoline-3-N-T-Butylcarboxamide; N-Tert-Butyl-2-[2-Hydroxy-3-[[(3-Hydroxy-2-Methylphenyl)-Oxomethyl]Amino]-4-(Phenylthio)Butyl]-3,4,4A,5,6,7,8,8A-Octahydro-1H-Isoquinoline-3-Carboxamide; 3-Isoquinolinecarboxamide,N-(1,1-Dimethylethyl)Decahydro-2-(2-Hydroxy-3-((3-Hy; 8A-Beta))-A-Bet; (3S,4As,8As)-N-(1,1-Dimethylethyl)Decahydro-2-[(2R,3R)-2-Hydroxy-3-[(3-Hydroxy-2-Methylbenzoyl)Amino]-4-(Phenylthio)Butyl]-3-Isoquinolinecarboxamide
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Properties

Summary

Formula
C33H49N3O7S2
Molecular Mass
663.88800
Exact Mass
663.30100
PSA
189.95000
Logp
6.05210
IUPAC
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
SMILES
CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antineoplastic Agents

Chemical and Physical Properties

Melting Point
185-186 °C
Density
1.22g/cm3
Boiling Point
786.8ºC at 760 mmHg
Flash Point
429.7ºC
Appearance
White to grayish white crystalline powder

Export information

HS Code
0.0
UN No.
0.0
DG-Class
0.0

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