比索洛尔

Description

1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol · CAS 66722-44-9 · C18H31NO4. UNII Y41JS2NL6U. Boiling Point: 445.0±45.0; Melting Point: 100-103; Melting Point: 100 °C.

Identification

CAS Registry Number	66722-44-9
PubChem CID	2405
Molecular formula	C18H31NO4
IUPAC name	1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
UNII (FDA)	Y41JS2NL6U

Computed Descriptors

Molecular Weight	325.4
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	325.22530847
Monoisotopic Mass	325.22530847
Topological Polar Surface Area	60
Heavy Atom Count	23
Formal Charge	0

Physical & Chemical Properties

Boiling Point	445.0±45.0
Melting Point	100-103
Melting Point	100 °C
Solubility	7.07e-02 g/L
LogP	2.2
LogP	log Kow = 1.87
LogP	1.87
Dissociation Constants	9.57
Dissociation Constants	9.5

Physical description & handling notes

• Solid
• Stable under recommended storage conditions.
• pKa1 = 9.27 (secondary amine); pKa2 = 14.09 (alcohol)
• 187.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated]
• 192.2 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
• Crystals, MP 100 °C. Soluble in ethanol /Bisoprolol hemifumarate/

GHS Hazard Classification

Reported hazard statements	H302 (100%)

Documented Uses

• Adrenergic beta-1 Receptor Antagonists; Antihypertensive Agents; Sympatholytics
• Use (kg; approx.) in Germany (2009): >7500
• Use (kg; exact) in Germany (2009): 8196
• Use (kg) in France (2004): 2113
• Consumption (g per capita; approx.) in Germany (2009): 0.0916
• Consumption (g per capita; exact) in Germany (2009): 0.1

Synonyms

BISOPROLOL; 66722-44-9; Bisoprololum; Bisocor; Bisoprololum [Latin]; EMD 33 512; Y41JS2NL6U; (RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol; (+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol; CL 297939; CHEBI:3127; DTXSID6022682; Bisoprololum (Latin); [2-hydroxy-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propyl](propan-2-yl)amine; 2-Propanol, 1-(4-((2-(1-methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)amino)-, (+-)-; bisoprololo

Frequently Asked Questions

What are the CAS number and molecular formula of 1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol?

CAS 66722-44-9; molecular formula C18H31NO4; molecular weight — g/mol.

What other names is 1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol known by?

BISOPROLOL, 66722-44-9, Bisoprololum, Bisocor, Bisoprololum [Latin], EMD 33 512.

Is 1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of 1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol?

Boiling Point: 445.0±45.0; Melting Point: 100-103; Melting Point: 100 °C; Solubility: 7.07e-02 g/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.