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117399-94-7

117399-94-7 structural image
Product Name: Endothelin-1 (human, porcine)
Formula: C109H159N25O32S5
Synonyms: Endothelin 1;Endothelin 1, Human and Porcine - CAS 117399-94-7 - Calbiochem;ET-1;ET-1, CSCSSLMDKECVYFCHLDIIW
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P284:Wear respiratory protection.

COMPUTED DESCRIPTORS

Molecular Weight 2491.9 g/mol
XLogP3 -3.7
Hydrogen Bond Donor Count 32
Hydrogen Bond Acceptor Count 40
Rotatable Bond Count 47
Exact Mass 2491.0220087 g/mol
Monoisotopic Mass 2490.0186539 g/mol
Topological Polar Surface Area 1040 Ų
Heavy Atom Count 171
Formal Charge 0
Complexity 5300
Isotope Atom Count 0
Defined Atom Stereocenter Count 23
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

A 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production. (N Eng J Med 1995;333(6):356-63)