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CHEBI:50863 - treprostinil sodium

ChEBI IDCHEBI:50863
ChEBI Nametreprostinil sodium
Stars
Last Modified4 November 2008
SubmitterInma Spiteri
DownloadsMolfile
FormulaC23H33O5.Na
Net Charge0
Average Mass412.502
Monoisotopic Mass412.22257
SMILES[H][C@@]12Cc3c(cccc3OCC(=O)[O-])C[C@]1([H])[C@@H](CC[C@@H](O)CCCCC)[C@H](O)C2.[Na+]
InChIInChI=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
InChIKeyIQKAWAUTOKVMLE-ZSESPEEFSA-M
ChEBI Ontology
Outgoing Relation(s)
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
RemodulinDrugBank
Manual XrefsDatabases
DB00374DrugBank
Registry NumbersSources
CAS:289480-64-4ChemIDplus