66722-44-9

Product Name: Bisoprolol

Formula: C18H31NO4

Synonyms: 1-{4-{[2-(1-Methylethoxy)ethoxy]methyl}phenoxy}-3-[(1-methylethyl)amino]-2-propanol

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description	Solid
Boiling Point	445.0±45.0
Melting Point	100-103
Solubility	7.07e-02 g/L
LogP	2.2
LogS	-3.7
Stability/Shelf Life	Stable under recommended storage conditions.
Dissociation Constants	9.57
Collision Cross Section	192.2 Å² [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index	2321.3 2336.3
Other Experimental Properties	Crystals, MP 100 °C. Soluble in ethanol /Bisoprolol hemifumarate/

SAFETY INFORMATION

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H362:Reproductive toxicity, effects on or via lactation
Precautionary Statement Codes	P202:Do not handle until all safety precautions have been read and understood. P263:Avoid contact during pregnancy/while nursing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight	325.4 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	325.22530847 g/mol
Monoisotopic Mass	325.22530847 g/mol
Topological Polar Surface Area	60 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	278
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

PRODUCT INTRODUCTION

description

Bisoprolol is a secondary alcohol and a secondary amine. It has a role as an antihypertensive agent, a beta-adrenergic antagonist, an anti-arrhythmia drug and a sympatholytic agent.