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Homecas78919-13-8

78919-13-8

78919-13-8 structural image
Product Name: ILOPROST
Formula: C22H32O4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility Very slightly soluble
LogP 4.8

SAFETY INFORMATION

Signal word Danger
Pictogram(s)
GHS06
Skull and Crossbones
Acute Toxicity
GHS06
GHS08
Health Hazard
GHS08
GHS Hazard Statements H311:Acute toxicity,dermal
H331:Acute toxicity,inhalation
H361:Reproductive toxicity
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P262:Do not get in eyes, on skin, or on clothing.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 360.5 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 360.23005950 g/mol
Monoisotopic Mass 360.23005950 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 606
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Iloprost is a carbobicyclic compound that is prostaglandin I2 in which the endocyclic oxygen is replaced by a methylene group and in which the (1E,3S)-3-hydroxyoct-1-en-1-yl side chain is replaced by a (3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl group. A synthetic analogue of prostacyclin, it is used as the trometamol salt (generally by intravenous infusion) for the treatment of peripheral vascular disease and pulmonary hypertension. It has a role as a platelet aggregation inhibitor and a vasodilator agent. It is a monocarboxylic acid, a secondary alcohol and a carbobicyclic compound.