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159989-64-7

159989-64-7 structural image
Product Name: NELFINAVIR
Formula: C32H45N3O4S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 349.84 °C
Solubility Slightly soluble
LogP 6

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.

COMPUTED DESCRIPTORS

Molecular Weight 567.8 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 567.31307810 g/mol
Monoisotopic Mass 567.31307810 g/mol
Topological Polar Surface Area 127 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 830
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Nelfinavir is an aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. It has a role as a HIV protease inhibitor and an antineoplastic agent. It is a member of benzamides, a member of phenols, an aryl sulfide, a secondary alcohol, a tertiary amino compound and an organic heterobicyclic compound. It is a conjugate base of a nelfinavir(1+).