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
| 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 Ų [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 Ų |
| 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.