Treprostinil

Base Information

• Chemical Name: Treprostinil
• CAS No.: 289480-64-4
• Molecular Formula: C23H33NaO5
• Molecular Weight: 412.4949
• Hs Code.: 2918999090
• European Community (EC) Number: 695-793-9,808-233-7
• UNII: RUM6K67ESG
• DSSTox Substance ID: DTXSID901021654
• Nikkaji Number: J430.982K
• Wikipedia: Treprostinil
• Wikidata: Q3495231
• NCI Thesaurus Code: C61983
• RXCUI: 343048
• Pharos Ligand ID: 466RVG5KZ99Y
• Metabolomics Workbench ID: 42742
• ChEMBL ID: CHEMBL1237119
• Mol file: 289480-64-4.mol

Synonyms:((1R,2R,3AS,9AS)-2-hydroxy-1-((3S)-3-hydroxyoctyl)-2,3,3A,4,9,9A-hexahydro-1H-cylopent(b)naphthalen-5-yl)oxy)acetate;Orenitram;Remodulin;trepostinil sodium;treprostinil;treprostinil diethanolamine;treprostinil diolamin;treprostinil diolamine;treprostinil sodium;UT-15;UT-15C

Chemical Property of Treprostinil

Chemical Property:

• Vapor Pressure: 1.25E-14mmHg at 25°C
• Boiling Point: 587.1°C at 760 mmHg
• Flash Point: 199.3°C
• PSA: 86.99000
• LogP: 3.58320
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 390.24062418
• Heavy Atom Count: 28
• Complexity: 495

Purity/Quality:

99% ^*data from raw suppliers

Treprostinilsodium >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O
• Isomeric SMILES: CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O
• Recent ClinicalTrials: Safety and Efficacy of Treprostinil in Ischemia and Reperfusion Injury in Adult Orthotopic Liver Transplantation
• Recent EU Clinical Trials: A Randomized, Double-blind, Placebo-controlled, Multinational, Phase 3 Study of the Efficacy and Safety of Inhaled Treprostinil in Subjects with Idiopathic Pulmonary Fibrosis (TETON-2)
• Recent NIPH Clinical Trials: MD-711 Phase 2/3 Study in PAH
• Uses: Treprostinil Sodium is a potent agonist of DP1, EP2 and IP receptors.