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Homecas396091-73-9

396091-73-9

396091-73-9 structural image
Product Name: PASIREOTIDE
Formula: C58H66N10O9
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility Soluble in water.

COMPUTED DESCRIPTORS

Molecular Weight 1047.2 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 18
Exact Mass 1046.50142372 g/mol
Monoisotopic Mass 1046.50142372 g/mol
Topological Polar Surface Area 281 Ų
Heavy Atom Count 77
Formal Charge 0
Complexity 1940
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
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

Pasireotide is a six-membered homodetic cyclic peptide composed from L-phenylglycyl, D-tryptophyl, L-lysyl, O-benzyl-L-tyrosyl, L-phenylalanyl and modified L-hydroxyproline residues joined in sequence. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used (as its diaspartate salt) for treatment of Cushing's disease. It has a role as an antineoplastic agent. It is a homodetic cyclic peptide and a peptide hormone. It is a conjugate base of a pasireotide(2+).