73873-87-7
Product Name:
Iloprost
Formula:
C22H32O4
Synonyms:
(E)-(3aS, 4R, 5R, 6aS)-Hexahydro-5-hydroxy-4-[(E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl]-Δ2(1H),Δ-pentalenevaleric acid;Cilaprost;ZK 36374; (5E)-5-[(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-ynyl]-2(1H)-pentalenylidene]pentanoic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | Very slightly soluble |
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LogP | 4.8 |
COMPUTED DESCRIPTORS
Molecular Weight | 360.5 g/mol |
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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.