EPOPROSTENOL

Search structure
Synonyms:
Pgx
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: Parent
ATC: B01AC09
UNII: DCR9Z582X0

Structure
InChI Key KAQKFAOMNZTLHT-OZUDYXHBSA-N
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
InChI
InChI=1S/C20H32O5/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)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32O5
Molecular Weight 352.47
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 3 D006976 ClinicalTrials
Hypertension, Pulmonary 3 D006976 ClinicalTrials
Kidney Diseases 3 D007674 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Subarachnoid Hemorrhage 2 D013345 ClinicalTrials
Reperfusion Injury 2 D015427 ClinicalTrials
Brain Injuries 1 D001930 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 35121-78-9
ChEBI 15552
ChEMBL CHEMBL1139
DrugBank DB01240
DrugCentral 1034
EPA CompTox DTXSID5022988
FDA SRS DCR9Z582X0
Human Metabolome Database HMDB0001335
Guide to Pharmacology 1915
PubChem 5282411
SureChEMBL SCHEMBL8041
ZINC ZINC000003813078
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