1.0 2016-05-25 18:20:00 UTC 2026-05-14 16:36:56 UTC Treprostinil SmallMolecule Treprostinil is an organic compound with the chemical formula C23H34O5 and an average molecular weight of 390.51 g/mol. Treprostinil belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. The compound is identified in five recorded sources, including antithrombotic agents within healthcare, pharmaceuticals, and veterinary products. Other sources include electrically stimulated smoking devices, as well as household cleaning and consumer products such as non-electric simulated smoking devices, cigar cigarettes, and other smoking requisites. Exposure to this compound occurs through oral, intravenous, subcutaneous, and respiratory routes. Treprostinil interacts with five recorded protein targets. It acts as an agonist or weak inhibitor of the P2Y purinoceptor 12 (P2RY12) and targets the prostacyclin receptor (PTGIR), the prostaglandin E2 receptor EP2 subtype (PTGER2), and the peroxisome proliferator-activated receptor delta (PPARD), in addition to one other protein. C23H34O5 390.5131 390.240624198 2-{[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H,2H,3H,3aH,4H,9H,9aH-cyclopenta[b]naphthalen-5-yl]oxy}acetic acid treprostinil 81846-19-7 [H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1 InChI=1S/C23H34O5/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/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1 PAJMKGZZBBTTOY-ZFORQUDYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenoxyacetic acid derivatives Phenoxyacetic acid derivatives Alkyl aryl ethers Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Fatty alcohols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Tetralins Alcohol Alkyl aryl ether Aromatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Ether Fatty acyl Fatty alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenoxyacetate Secondary alcohol Tetralin Aromatic homopolycyclic compounds carbotricyclic compound carboxylic acid Detected and Not Quantified Treprostinil Action Pathway SMP0126517 Treprostinil Drug Metabolism Action Pathway SMP0142832 logp 4 logp 3.53 ALOGPS logs -4.73 ALOGPS solubility 7.31e-03 g/l ALOGPS logp 4 ChemAxon pka_strongest_acidic 3.76 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 2-{[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H,2H,3H,3aH,4H,9H,9aH-cyclopenta[b]naphthalen-5-yl]oxy}acetic acid ChemAxon average_mass 390.5131 ChemAxon mono_mass 390.240624198 ChemAxon smiles [H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1 ChemAxon formula C23H34O5 ChemAxon inchi InChI=1S/C23H34O5/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/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1 ChemAxon inchikey PAJMKGZZBBTTOY-ZFORQUDYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 108 ChemAxon polarizability 45.74 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227c2d8f0> DB00374 54786 49475 BE0000110 BE0001007 BE0000475 BE0000368 BE0000296