173334-58-2
Product Name:
Aliskiren hemifumarate
Formula:
C30H53N3O6
Synonyms:
(2S,4S,5S,7S)-N-(2-Carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7diisopropyl-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-octanamide hemifumarate;CGP-60536;CGP60536B;Rasilez;SPP-100
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 226.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
---|
COMPUTED DESCRIPTORS
Molecular Weight | 1219.6 g/mol |
---|---|
Hydrogen Bond Donor Count | 10 |
Hydrogen Bond Acceptor Count | 18 |
Rotatable Bond Count | 40 |
Exact Mass | 1218.79783144 g/mol |
Monoisotopic Mass | 1218.79783144 g/mol |
Topological Polar Surface Area | 367 Ų |
Heavy Atom Count | 86 |
Formal Charge | 0 |
Complexity | 836 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 8 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 3 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Aliskiren fumarate is the hemifumarate salt of aliskiren. It has a role as an antihypertensive agent. It contains an aliskiren.