Treprostinil
2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
Molecular Identity
Treprostinil
2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
PubChem CID: 6918140
Treprostinil is a carboxylic acid and a carbotricyclic compound. It has a role as a cardiovascular drug, a vasodilator agent, an antihypertensive agent, a platelet aggregation inhibitor, a vitamin K antagonist and a human blood serum metabolite.
2D Structure
Properties
C23H34O5
Molecular Formula
390.50
Molecular Weight
g/mol
390.2406
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
87
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
495
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)OIsomeric SMILES
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)OSynonyms(20)
Treprostinil81846-19-7UniprostRumodolinTyvasoUT-15LRX-15treprostinilo15AU81treprostinilumTyvaso dpiRUM6K67ESG15-AU-81CHEBI:50861L-606
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Treprostinil
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