treprostinil sodium

Properties Image MNX_ID MNXM161788 reference chebi:50863 formula C23H33NaO5 global charge 0 mol weight 412.502 InChIKey IQKAWAUTOKVMLE-ZSESPEEFSA-M 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 SMILES CCCCC[C@H](O)CC[C@@H]1[C@H]2CC3=CC=CC(OCC(=O)[O-])=C3C[C@H]2C[C@H]1O.[Na+] MNX internals InChI (mnx) InChI=1/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/t16-,17-,18+,19-,21+;/m0./s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:7][C@@H:17]([CH2:9][CH2:10][C@@H:18]1[C@H:19]2[CH2:11][C:15]3=[C:20]([CH2:12][C@H:16]2[CH2:13][C@H:21]1[OH:25])[C:22]([O:28][CH2:14][C:23](=[O:26])[OH:27])=[CH:8][CH:5]=[CH:6]3)[OH:24].[Na+:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0