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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3128 - bisoprolol fumarate
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ChEBI Ontology
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ChEBI Name
bisoprolol fumarate
ChEBI ID
CHEBI:3128
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
(C18H31NO4)2.C4H4O4
Net Charge
0
Average Mass
766.95832
Monoisotopic Mass
766.46158
InChI
InChI=1S/2C18H31NO4.C4H4O4/c2*1-
14(2)
19-
11-
17(20)
13-
23-
18-
7-
5-
16(6-
8-
18)
12-
21-
9-
10-
22-
15(3)
4;5-
3(6)
1-
2-
4(7)
8/h2*5-
8,14-
15,17,19-
20H,9-
13H2,1-
4H3;1-
2H,(H,5,6)
(H,7,8)
/b;;2-
1+
InChIKey
VMDFASMUILANOL-WXXKFALUSA-N
SMILES
[H+]
.[H+]
.[O-
]
C(=O)
\C=C\C([O-
]
)
=O.CC(C)
NCC(O)
COc1ccc(COCCOC(C)
C)
cc1.CC(C)
NCC(O)
COc1ccc(COCCOC(C)
C)
cc1
ChEBI Ontology
Outgoing
bisoprolol fumarate (
CHEBI:3128
)
has part
bisoprolol (
CHEBI:3127
)
bisoprolol fumarate (
CHEBI:3128
)
is a
fumarate salt (
CHEBI:50921
)
IUPAC Name
bis{1-
{4-
[(2-
isopropoxyethoxy)methyl]phenoxy}-
3-
(isopropylamino)propan-
2-
ol} (2
E
)-
but-
2-
enedioic acid
Synonyms
Sources
(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol fumarate (2:1) (salt)
ChemIDplus
(+-)-1-(p-((2-Isopropoxyethoxy)methyl)phenoxy)-3-isopropylamino-2-propanol hemifumarate
ChemIDplus
Manual Xrefs
Databases
D00634
KEGG DRUG
DB00612
DrugBank
View more database links
Registry Numbers
Types
Sources
104344-23-2
CAS Registry Number
ChemIDplus
6049645
Beilstein Registry Number
Beilstein
Last Modified
21 January 2009