Bisoprolol

Synonyms: Bisoprolol, "Bisoprololum", "Bisoprolol fumarate", "Concor", "Zebeta", "Bisoprolol fumerate", "Bisoprolol hemifumarate", "Cardicor", "Detensiel", "Monocor", "Euradal", "Emcor", "Soprol", "Isoten", "1-(4-((2-isopropoxyethoxy)methyl)phenoxy)-3-(isopropylamino)propan-2-ol", "(RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol", "(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol"

Source: Bisoprolol is an effective antihypertensive and heart rate reducing drug.

Identifiers:

IUPAC Name: 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
CAS Number: 66722-44-9
PubChem ID: 2405
InChiKey: VHYCDWMUTMEGQY-UHFFFAOYSA-N
Canonical SMILES: CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O

Structural Properties:

Molecular Formula: C₁₈H₃₁NO₄
Molecular Weight: 325,400

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 23

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Paluselli, A., Fauvelle, V., Schmidt, N., Galgani, F., Net, S., & Semp?r?, R. (2018). Distribution of phthalates in marseille bay (NW mediterranean sea). Science of the total environment, 621, 578-587.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure