EPOPROSTENOL SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4K04IQ1OF4
EPA CompTox DTXSID3046617
Parent Compound: EPOPROSTENOL

Structure

InChI Key LMHIPJMTZHDKEW-XQYLJSSYSA-M
Smiles CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)[O-])O[C@H]2C[C@H]1O.[Na+]
InChI
InChI=1S/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H31NaO5
Molecular Weight 374.45
AlogP 3.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 86.99
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid IP receptor agonist AGONIST FDA ISBN
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
43 - - - -

Target Conservation

Protein: Prostanoid IP receptor
Description: Prostacyclin receptor
Organism : Homo sapiens
P43119 ENSG00000160013

Cross References

Resources Reference
ChEBI 31548
ChEMBL CHEMBL962
FDA SRS 4K04IQ1OF4
PubChem 6364626
SureChEMBL SCHEMBL41344
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