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CHEBI:3128 - bisoprolol fumarate

Default Structure
ChEBI IDCHEBI:3128
ChEBI Namebisoprolol fumarate
Stars
Last Modified21 January 2009
DownloadsMolfile
Formula2H.2C18H31NO4.C4H2O4
Net Charge0
Average Mass766.970
Monoisotopic Mass766.46158
SMILESCC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C([O-])/C=C/C(=O)[O-].[H+].[H+]
InChIInChI=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+
InChIKeyVMDFASMUILANOL-WXXKFALUSA-N
Roles Classification
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
bisoprolol fumarate (CHEBI:3128) has part bisoprolol (CHEBI:3127)
bisoprolol fumarate (CHEBI:3128) has role antihypertensive agent (CHEBI:35674)
bisoprolol fumarate (CHEBI:3128) has role cardiovascular drug (CHEBI:35554)
bisoprolol fumarate (CHEBI:3128) is a fumarate salt (CHEBI:50921)
IUPAC Name 
bis{1-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol} (2E)-but-2-enedioic acid
Synonyms  Source
(+-)-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 hemifumarateChemIDplus
CL-297939ChEMBL
DetensielChEMBL
EmconcorChEMBL
EMD-33-512ChEMBL
Brand Names  Source
BipranixChEMBL
Bisoprolol fumarate component of ziacChEMBL
CardicorChEMBL
ConcorChEMBL
CongescorChEMBL
EmcorChEMBL
Manual XrefsDatabases
D00634KEGG DRUG
DB00612DrugBank
Registry NumbersSources
Beilstein:6049645Beilstein
CAS:104344-23-2ChemIDplus
Citations