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128270-60-0

128270-60-0 structural image
Product Name: Bivalirudin
Formula: C98H138N24O33
Synonyms: ;Hirulog trifluoroacetate salt
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SAFETY INFORMATION

Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 2180.3 g/mol
XLogP3 -7.1
Hydrogen Bond Donor Count 28
Hydrogen Bond Acceptor Count 35
Rotatable Bond Count 67
Exact Mass 2179.9891678 g/mol
Monoisotopic Mass 2178.9858129 g/mol
Topological Polar Surface Area 902 Ų
Heavy Atom Count 155
Formal Charge 0
Complexity 4950
Isotope Atom Count 0
Defined Atom Stereocenter Count 16
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

Bivalirudin is a synthetic peptide of 20 amino acids, comprising D-Phe, Pro, Arg, Pro, Gly, Gly, Gly, Gly, Asn, Gly, Asp, Phe, Glu, Glu, Ile, Pro, Glu, Glu, Tyr, and Leu in sequence. A congener of hirudin (a naturally occurring drug found in the saliva of the medicinal leech), it a specific and reversible inhibitor of thrombin, and is used as an anticoagulant. It has a role as an anticoagulant and an EC 3.4.21.5 (thrombin) inhibitor.

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