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ChEBI
> Main
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 ({(1
R
,2
R
,3a
S
,9a
S
)-
2-
hydroxy-
1-
[(3
S
)-
3-
hydroxyoctyl]-
2,3,3a,4,9,9a-
hexahydro-
1
H
-
cyclopenta[
b
]naphthalen-
5-
yl}oxy)acetate
Brand Name
Source
Remodulin
DrugBank
Manual Xref
Database
DB00374
DrugBank
View more database links
Registry Number
Type
Source
289480-64-4
CAS Registry Number
ChemIDplus
Last Modified
04 November 2008