EPOPROSTENOL SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 4K04IQ1OF4
Parent Compound: EPOPROSTENOL

Structure
InChI Key LMHIPJMTZHDKEW-XQYLJSSYSA-M
Smile CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@@H]21.[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

Action Mechanism of Action Reference
AGONIST Prostanoid IP receptor agonist FDA ISBN

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 4 D006976 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.49
Respiratory, thoracic and mediastinal disorders
10.14
Cardiac disorders
7.62
Gastrointestinal disorders
7.45
Injury, poisoning and procedural complications
7.29
Skin and subcutaneous tissue disorders
6.86
Infections and infestations
6.74
Vascular disorders
5.99
Nervous system disorders
5.04
Musculoskeletal and connective tissue disorders
4.97
Investigations
4.54
Surgical and medical procedures
4.3
Metabolism and nutrition disorders
3.12
Product issues
2.04

Cross References

Resources Reference
ChEBI 31548
ChEMBL CHEMBL962
EPA CompTox DTXSID3046617
FDA SRS 4K04IQ1OF4
PubChem 6364626
SureChEMBL SCHEMBL41344
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