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17650-98-5

17650-98-5 structural image
Product Name: CAERULEIN
Formula: C58H73N13O21S2
Synonyms: [Tyr(SO3H)4]Caerulein;Caerulein Sulfated;Cerulein;Ceruletide;pGlu-Gln-Asp-Tyr(SO3H)-Thr-Gly-Trp-Met-Asp-Phe-NH2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility 1.16e-02 g/L
LogP -0.9

COMPUTED DESCRIPTORS

Molecular Weight 1352.4 g/mol
XLogP3 -3
Hydrogen Bond Donor Count 17
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 38
Exact Mass 1351.44853874 g/mol
Monoisotopic Mass 1351.44853874 g/mol
Topological Polar Surface Area 585 Ų
Heavy Atom Count 94
Formal Charge 0
Complexity 2840
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
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

Ceruletide is a decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction. It has a role as a diagnostic agent and a gastrointestinal drug.