TREPROSTINIL DIOLAMINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2013)
Entry Type: Small molecule
Molecule Category: Salt
UNII: H1FKG90039
Parent Compound: TREPROSTINIL

Structure
InChI Key RHWRWEUCEXUUAV-ZSESPEEFSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Prostanoid IP receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 3 D006976 ClinicalTrials
Scleroderma, Systemic 2 D012595 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
15.78
General disorders and administration site conditions
14.1
Respiratory, thoracic and mediastinal disorders
11.07
Nervous system disorders
10.4
Cardiac disorders
10.17
Vascular disorders
7.52
Musculoskeletal and connective tissue disorders
6.92
Metabolism and nutrition disorders
3.81
Investigations
3.7
Skin and subcutaneous tissue disorders
3.52
Infections and infestations
3.09
Injury, poisoning and procedural complications
2.51
Psychiatric disorders
2.38

Cross References

Resources Reference
ChEMBL CHEMBL2107815
EPA CompTox DTXSID50232132
FDA SRS H1FKG90039
PubChem 11179459
SureChEMBL SCHEMBL17222566
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