TREPROSTINIL DIOLAMINE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII H1FKG90039
EPA CompTox DTXSID50232132
Parent Compound: TREPROSTINIL

Structure

InChI Key RHWRWEUCEXUUAV-ZSESPEEFSA-N
Smiles CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O.OCCNCCO
InChI
InChI=1S/C23H34O5.C4H11NO2/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;6-3-1-5-2-4-7/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);5-7H,1-4H2/t16-,17-,18+,19-,21+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H45NO7
Molecular Weight 495.66
AlogP 3.58
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 1.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid IP receptor agonist AGONIST PubMed

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL2107815
FDA SRS H1FKG90039
PubChem 11179459
SureChEMBL SCHEMBL17222566
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