|
|
|
Substance Name: Befunolol [INN]
RN: 39552-01-7
UNII: 418546MT3A
InChIKey: ZPQPDBIHYCBNIG-UHFFFAOYSA-N
Classification Codes
- Adrenergic Agents
- Adrenergic Agonists
- Adrenergic Antagonists
- Adrenergic beta-Agonists
- Adrenergic beta-Antagonists
- Drug / Therapeutic Agent
- Neurotransmitter Agents
Molecular Formula
- C16-H21-N-O4
Molecular Weight
- 291.345
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Befunolol
- Befunolol [INN]
Synonyms
- 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone
- 2-Acetyl-7-(2-hyroxy-3-isopropylaminopropoxy)benzofuran
- 7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl ketone
- Befunolol
- Befunololum
- Befunololum [INN-Latin]
- BRN 3620832
- UNII-418546MT3A
Systematic Names
- 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone hydrochloride
- 7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl ketone
- Ethanone, 1-(7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)- (9CI)
- Ketone, 7-(2-hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl
Registry Numbers
CAS Registry Number
- 39552-01-7
FDA UNII
- 418546MT3A
Related Registry Number
- 39543-79-8 (hydrochloride)
System Generated Number
- 0039552017
Structure Descriptors
InChI
InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3InChIKey
ZPQPDBIHYCBNIG-UHFFFAOYSA-NSmiles
CC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | German Offenlegungsschrift Patent Document. Vol. #2223184, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 115 | deg C | EXP | |
| log P (octanol-water) | 2.02 | (none) | EXP | |
| Water Solubility | 2640 | mg/L | 25 | EST |
| Vapor Pressure | 3.83E-09 | mm Hg | 25 | EST |
| Henry's Law Constant | 1.45E-15 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.81E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.