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| IUPAC Name: | sodium;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]acetate |
| Description: | Treprostinil sodium is a potent DP1 and EP2 agonist that acts as a vasodilator used for the treatment of pulmonary arterial hypertension. |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C23H33NaO5 |
| Canonical SMILES: | CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)[O-])O)O.[Na+] |
| InChI: | InChI=1S/C23H34O5.Na/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);/q;+1/p-1/t16-,17-,18+,19-,21+;/m0./s1 |
| InChI Key: | IQKAWAUTOKVMLE-ZSESPEEFSA-M |
| Boiling Point: | 587.1 ℃ at 760 mmHg |
| Solubility: | Ethanol : ~20 mg/ml; DMSO : ~20 mg/ml; DMF : ~30 mg/ml; DMF : PBS (pH 7.2, 1 : 1) : ~0.5 mg/ml; water : insoluble at 25℃. |
| LogP: | 3.58320 |
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