BISOPROLOL FUMARATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII UR59KN573L
EPA CompTox DTXSID1045794

Structure

InChI Key VMDFASMUILANOL-WXXKFALUSA-N
Smiles CC(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
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+

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H66N2O12
Molecular Weight 766.97
AlogP 2.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 59.95
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Beta-1 adrenergic receptor antagonist ANTAGONIST DailyMed

Target Conservation

Protein: Beta-1 adrenergic receptor
Description: Beta-1 adrenergic receptor
Organism : Homo sapiens
P08588 ENSG00000043591

Cross References

Resources Reference
ChEBI 3128
ChEMBL CHEMBL1472989
FDA SRS UR59KN573L
PubChem 5281064
SureChEMBL SCHEMBL41418
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