CHEBI:50863 - treprostinil sodium

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ChEBI Name treprostinil sodium
ChEBI ID CHEBI:50863
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H33NaO5
Net Charge 0
Average Mass 412.49489
Monoisotopic Mass 412.22257
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
InChIKey IQKAWAUTOKVMLE-ZSESPEEFSA-M
SMILES [Na+].[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])Cc1cccc(OCC([O-])=O)c1C2
ChEBI Ontology
Outgoing treprostinil sodium (CHEBI:50863) has part treprostinil (CHEBI:50861)
treprostinil sodium (CHEBI:50863) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium ({(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetate
Brand Name Source
Remodulin DrugBank
Manual Xref Database
DB00374 DrugBank
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Registry Number Type Source
289480-64-4 CAS Registry Number ChemIDplus
Last Modified
04 November 2008