Befunolol

HCID 2309
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Basic information

CAS
39552-01-7
Standard SMILES
CC(=O)c1cc2cccc(OCC(O)CNC(C)C)c2o1
InChIKey
ZPQPDBIHYCBNIG-UHFFFAOYSA-N
Molecular formula
C16H21NO4
Average molar mass
291.34 g/mol
Monoisotopic mass
291.14705815

Names & identifiers

Preferred name
Befunolol
IUPAC
1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone
English name
Befunolol
Molecular formula
C16H21NO4
Molecular weight
291.34

Names & synonyms

Befunolol39552-01-7Befunololum7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl ketone418546MT3A2-Acetyl-7-(2-hyroxy-3-isopropylaminopropoxy)benzofuran1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone1-[7-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-2-benzofuranyl]ethanone1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone hydrochloride2-acetyl-7-(2-hydroxy-3-isopropylamino)propoxybenzofuranbefunololoRefChem:116875
Show more names
(±)-BefunololBefunolol USP/EP/BP(±)Befunolol,(±) Befunolol(-)-2-Acetyl-7-[(S)-2-hydroxy-3-isopropylaminopropoxy]benzofuran(+)-2-Acetyl-7-[(R)-2-hydroxy-3-isopropylaminopropoxy]benzofuranketone, 7-(2-hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl
S01ED06Befunolol [INN]()-BefunololBefunolol (INN)(+/-)-Befunolol( inverted exclamation markA)-Befunolol2-acetyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone

Database identifiers

CAS
39552-01-7
PubChem CID
2309
DTXSID
DTXSID80865957
ChEMBL
CHEMBL153984
ChEBI
CHEBI:135212
UNII
418546MT3A
Nikkaji
J16.631F

Properties

Computed structural properties

XLogP
2
Topological polar surface area
71.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
21

Experimental & physicochemical properties

Melting Point115

Physicochemical properties

Melting point
115 ° · 115°
Boiling point
433.35 °C · 433.35°C (rough estimate)
Density
1.1049 · 1.1049 (rough estimate)
refractive index
1.55 · 1.5500 (estimate)
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility
Chloroform (Slightly), DMSO (Slightly, Heated)

Safety & regulation

Safety data

Toxicity
LD50 in mice: 100-105 mg/kg i.v. (Ito)

Chemistry & industry

Pharmacology

ATC Code · 2 items

S - Sensory organs；S01 - Ophthalmologicals；S01E - Antiglaucoma preparations and miotics；S01ED - Beta blocking agents；S01ED06 - Befunolol

QS - Sensory organs；QS01 - Ophthalmologicals；QS01E - Antiglaucoma preparations and miotics；QS01ED - Beta blocking agents；QS01ED06 - Befunolol

MeSH Pharmacological Classification · 2 items

Drugs that selectively bind to and activate beta-adrenergic receptors.

Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.

Applications

UsesBefunolol is a β-adrenergic blocker with an intrinsic sympathomimetic action. But it can work as a β-adrenergic partial agonist in isolated organs.

Usesβ-Adrenergic blocker used as antiglaucoma agent in ophthalmie solutions

Upstream & downstream products

Suppliers13 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]

Additional notes

DefinitionChEBI: Befunolol is a member of benzofurans.

Related reactions

1 records
New reaction record

Compound notes

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