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Bunolol Hydrochloride

HCID 68657
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
27912-14-7
Standard SMILES
CC(C)(C)NCC(O)COc1cccc2c1CCCC2=O.Cl
InChIKey
DNTDOBSIBZKFCP-UHFFFAOYSA-N
Molecular formula
C17H26ClNO3
Average molar mass
327.8 g/mol
Monoisotopic mass
327.1601214

Overview

See also: Levobunolol (related).

Names & identifiers

Preferred name
Bunolol Hydrochloride
IUPAC
5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
English name
Levobunolol hydrochloride
Molecular formula
C17H25NO3.ClH
Molecular weight
327.85

Names & synonyms

Bunolol hydrochloride31969-05-8Bunolol HClW 6412AW0Q9J8634ZW-6412ARefChem:121914rac-Bunolol HydrochlorideBunolol hydrochloride [USAN]5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloridel-Bunolol hydrochlorideBunolol hydrochloride (USAN)
Show more names
LEVOBUNOLOL HCLAG-901w7000abetagangotensinvistagan(-)-rochloridl-bunololhydrochlorideLEVOBUNOLOL HYDROCHLORIDELevobunolol Hydrochloride (200 mg)
CCRIS 1062W 6421A; l-BunololSR-05000001735MirolBetaSiteUNII-W0Q9J8634Zrac-Bunolol HCl5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

Database identifiers

CAS
27912-14-7、31969-05-8

Properties

Computed structural properties

Topological polar surface area
58.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
350

Physicochemical properties

Melting point
209 · 209-211°
alpha
24589 · 24589 -19.6±0.7° (c = 2.90 in methanol)
storage temp.
Amber Vial, Refrigerator, Under inert atmosphere
solubility
DMSO (Slightly), Methanol (Slightly), Water (Sparingly)
form
Solid
color
White to Off-White
Stability
Light Sensitive
FDA UNII
90 S49LDHH · O90S49LDHH
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H302-H332-H312
Precautionary statements
280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
HS Code
2922504500 · 2922504500

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code
2922504500
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H302-H332-H312
Precautionary statements
P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

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.

Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.

Applications · 3 items

DescriptionLevobunolol hydrochloride is a non-selective β-adrenergic blocker useful in the treatment of glaucoma. Worldwide, it represents the sixth B-blocker to be launched for this indication.

UsesAnti-adrenergic (β-receptor).

UsesA non-selective -adrenoceptor antagonist used as an anticonvulsant.

Upstream & downstream products

Upstream raw materials

tert-Butylamine4-(3,4-Dichlorophenyl)-1-tetraloneTetrabutylammonium bromidePotassium hydroxide1-Tetralone

Suppliers32 total

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
68657
DTXSID
DTXSID50953855
ChEMBL
CHEMBL2106021
UNII
W0Q9J8634Z
EC Number
642-222-6
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Additional notes

DefinitionChEBI: A hydrochloride obtained by combining equimolar amounts of levobunolol and hydrochloric acid. A non-selective beta-adrenergic antagonist used for treatment of glaucoma.