1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol (CAS 66722-44-9) — formula C18H31NO4, molecular weight 325.4; category organic chemicals.
Documented applications: Uses: MEDICATION, Adrenergic beta-1 Receptor Antagonists, Antihypertensive Agents, Sympatholytics, Use (kg, approx.) in Germany (2009): >7500, exact) in Germany (2009): 8196, Use (kg) in USA (2002): 600, Use (kg) in France (2004): 2113, Consumption (g per capita, approx.) in Germany (2009): 0.0916, exact) in Germany (2009): 0.1, Consumption (g per capita) in the USA (2002): 0.00213, Consumption (g per capita) in France (2004): 0.035, Excretion rate: 0.6, Calculated removal (%): 22.7, Use Classification: Pharmaceuticals, Methods of Manufacturing: Preparation: Belgium patent 859425, R. Jonas et al., United States of America patent 4258062 (1978, 1981 both to E. Merck)., Formulations, Preparations: Table: Bisoprolol Fumarate Preparations [Table#8328], Table: Bisoprolol Fumarate Combination Preparations [Table#8329].
1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol is a carbon-based organic compound with CAS registry number 66722-44-9 and molecular formula C18H31NO4 (molecular weight 325.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 66722-44-9
Its molecular formula C18H31NO4 comprises 18 C, 31 H, 1 N, 4 O atoms.
Also known as: 1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol · Bisoprolol
Category: organic chemicals
The CAS registry number of 1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol is 66722-44-9.
Molecular formula C18H31NO4, molecular weight 325.4.
It is also registered under: 1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol, Bisoprolol.
Recorded applications: Uses: MEDICATION, Adrenergic beta-1 Receptor Antagonists, Antihypertensive Agents, Sympatholytics, Use (kg, approx.) in Germany (2009): >7500, exact) in Germany (2009): 8196, Use (kg) in USA (2002): 600, Use (kg) in France (2004): 2113, Consumption (g per capita, approx.) in Germany (2009): 0.0916, exact) in Germany (2009): 0.1, Consumption (g per capita) in the USA (2002): 0.00213, Consumption (g per capita) in France (2004): 0.035, Excretion rate: 0.6, Calculated removal (%): 22.7, Use Classification: Pharmaceuticals, Methods of Manufacturing: Preparation: Belgium patent 859425, R. Jonas et al., United States of America patent 4258062 (1978, 1981 both to E. Merck)., Formulations, Preparations: Table: Bisoprolol Fumarate Preparations [Table#8328], Table: Bisoprolol Fumarate Combination Preparations [Table#8329].
Category: Organic Chemicals.
Public-database records for 1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol (CAS 66722-44-9), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
| 沸点 | 445.0±45.0 |
|---|---|
| 熔点 | 100-103 |
| 熔点 | 100 °C |
| 溶解度 | 7.07e-02 g/L |
| LogP | 2.2 |
| LogP | log Kow = 1.87 |
| LogP | 1.87 |
| Dissociation Constants | 9.57 |
| Dissociation Constants | 9.5 |
| CAS Registry Number | 66722-44-9 |
|---|---|
| PubChem CID | 2405 |
| 分子式 | C18H31NO4 |
| IUPAC 名称 | 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol |
| UNII（FDA） | Y41JS2NL6U |
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
| 分子量 | 325.4 |
|---|---|
| XLogP3 | 1.9 |
| 氢键供体数 | 2 |
| 氢键受体数 | 5 |
| 可旋转键数 | 12 |
| 精确质量 | 325.22530847 |
| 单同位素质量 | 325.22530847 |
| 拓扑极性表面积 | 60 |
| 重原子数 | 23 |
| 形式电荷 | 0 |
1-[isopropylamino]-3-[isopropoxyethoxymethylphenoxy]-2-propanol · CAS 66722-44-9 · C18H31NO4. UNII Y41JS2NL6U. 沸点: 445.0±45.0; 熔点: 100-103; 熔点: 100 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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