Bisoprolol fumarateProduct ingredient for Bisoprolol

Name
Bisoprolol fumarate
Drug Entry
Bisoprolol

Bisoprolol is a cardioselective β1-adrenergic blocking agent used to treat high blood pressure.4,17 It is considered a potent drug with a long-half life that can be used once daily to reduce the need for multiple doses of antihypertensive drugs.4 Bisoprolol is generally well tolerated, likely due to its β1-adrenergic receptor selectivity and is a useful alternative to non-selective β-blocker drugs in the treatment of hypertension such as Carvedilol and Labetalol. It may be used alone or in combination with other drugs to manage hypertension17 and can be useful in patients with chronic obstructive pulmonary disease (COPD) due to its receptor selectivity.13

Accession Number
DBSALT001015
Structure
Synonyms
Bisoprolol hemifumarate
UNII
UR59KN573L
CAS Number
104344-23-2
Weight
Average: 766.97
Monoisotopic: 766.461575573
Chemical Formula
C40H66N2O12
InChI Key
VMDFASMUILANOL-WXXKFALUSA-N
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+
IUPAC Name
(2E)-but-2-enedioic acid; bis(1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol)
SMILES
[H]\C(=C(\[H])C(O)=O)C(O)=O.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1
ChemSpider
4444521
ChEBI
3128
ChEMBL
CHEMBL1472989
Wikipedia
Bisoprolol
Predicted Properties
PropertyValueSource
Water Solubility0.0707 mg/mLALOGPS
logP2.3ALOGPS
logP2.2Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)9.67Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area59.95 Å2Chemaxon
Rotatable Bond Count26Chemaxon
Refractivity92.15 m3·mol-1Chemaxon
Polarizability38.99 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon