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130308-48-4

130308-48-4 structural image
Product Name: HOE 140
Formula: C59H89N19O13S
Synonyms: ;Icatibant acetate
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 1 mg/mL

COMPUTED DESCRIPTORS

Molecular Weight 1304.5 g/mol
XLogP3 -6.4
Hydrogen Bond Donor Count 15
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 30
Exact Mass 1303.66079514 g/mol
Monoisotopic Mass 1303.66079514 g/mol
Topological Polar Surface Area 552 Ų
Heavy Atom Count 92
Formal Charge 0
Complexity 2720
Isotope Atom Count 0
Defined Atom Stereocenter Count 12
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

Icatibant (Firazyr) is a synthetic peptidomimetic drug consisting of ten amino acids, and acts as an effective and specific antagonist of bradykinin B2 receptors. It has been approved in the EU for use in hereditary angioedema, and is under investigation for a number of other conditions in which bradykinin is thought to play a significant role. Icatibant currently has orphan drug status in the United States and FDA approved on August 25, 2011.