(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid
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![(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1fcdaefdb3eb4bd095b581a02bf6adc5.png "(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid")
(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid
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CAS No:
88911-35-7
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Formula:
C21H34O4
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Chemical Name:
(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid
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Synonyms:
2-Pentalenepentanoic acid,1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-,(3aS,5R,6R,6aS)-;2-Pentalenepentanoic acid,1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-,[3aS-[3aα,5β,6α(1E,3R*),6aα]]-;(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid;Isocarbacyclin;TEI 7165;(+)-Isocarbacyclin
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CAS No:
(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid Basic Attributes
350.49226
350.49
J2E3T1I1U9
DTXSID70237407
Drug Information
Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN. (See all compounds classified as Fibrinolytic Agents.)|Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)
9-O-methano-6 beta-PGI1
Computed Properties
Molecular Weight:350.5
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:350.24570956
Monoisotopic Mass:350.24570956
Topological Polar Surface Area:77.8
Heavy Atom Count:25
Complexity:482
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid
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