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76712-82-8

76712-82-8 structural image
Product Name: Histrelin
Formula: C66H86N18O12
Synonyms: Histrelin
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CHEMICAL AND PHYSICAL PROPERTIES

Optical Rotation Specific optical rotation = -33.9 deg at 20 °C/D ( c = 1 in acetic acid)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H360:Reproductive toxicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 1323.5 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 15
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 34
Exact Mass 1322.66726025 g/mol
Monoisotopic Mass 1322.66726025 g/mol
Topological Polar Surface Area 449 Ų
Heavy Atom Count 96
Formal Charge 0
Complexity 2660
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
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

Histrelin is an oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, 1-benzyl-D-histidyl, leucyl, arginyl, and N-ethylprolinamide residues joined in sequence. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the diacetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty. It has a role as an antineoplastic agent and a gonadotropin releasing hormone agonist.