Bunolol Hydrochloride
PubChem CID
68657
Structure
Chemical Safety
Molecular Formula
Synonyms
- Bunolol hydrochloride
- 31969-05-8
- rac-Bunolol Hydrochloride
- Bunolol HCl
- W 6412A
Molecular Weight
327.8 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-08-08
- Modify:2025-01-18
Description
A nonselective beta-adrenoceptor antagonist used in the treatment of glaucoma.
See also: Levobunolol Hydrochloride (annotation moved to).
Chemical Structure Depiction
3D Conformer of Parent
5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
DNTDOBSIBZKFCP-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C17H26ClNO3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
27912-14-7
- Bunolol
- Bunolol Hydrochloride
- W 6412A
- W-6412A
- W6412A
- Bunolol hydrochloride
- 31969-05-8
- rac-Bunolol Hydrochloride
- Bunolol HCl
- W 6412A
- Bunolol hydrochloride [USAN]
- CCRIS 1062
- UNII-W0Q9J8634Z
- W0Q9J8634Z
- W-6412A
- Bunolol hydrochloride (USAN)
- 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
- BUNOLOL HYDROCHLORIDE [MART.]
- l-Bunolol hydrochloride
- BUNOLOL HYDROCHLORIDE (MART.)
- (+/-)-5-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)-3,4-DIHYDRO-1(2H)-NAPHTHALENONE HYDROCHLORIDE
- W 6421A; l-Bunolol
- SR-05000001735
- Mirol
- BetaSite
- 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
- (+-)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-3,4-dihydro-1(2H)-naphthalenone hydrochloride
- SCHEMBL613150
- CHEMBL2106021
- DTXSID50953855
- Pharmakon1600-01505551
- AGN-101291-A-L
- AG-901
- NSC759158
- W6412A
- AKOS025401339
- AC-1117
- CCG-213481
- 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one hydrochloride
- 1(2H)-Naphthalenone, 5-(3-(1,1-dimethylethyl)amino)-2-(hydroxypropoxy)-3,4-dihydro-, hydrochloride (+-)
- 1(2H)-Naphthalenone, 5-(3-(1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-, hydrochloride (+-)
- DB-047296
- DB-242211
- DB-242212
- NS00084219
- D03177
- SR-05000001735-4
- SR-05000001735-5
- Q27292157
- Bunolol Hydrochloride 1.0 mg/ml in Methanol (as free base)
- 1(2H)-NAPHTHALENONE, 5-(3-(1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-3,4-DIHYDRO-, HYDROCHLORIDE (+/-)
- 1(2H)-NAPHTHALENONE, 5-(3-(1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-3,4-DIHYDRO-, HYDROCHLORIDE (+/-)-
- 5-[3-(tert-Butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one--hydrogen chloride (1/1)
- 5-{2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}-3,4-Dihydro-1(2H)-Naphthalenone Hydrochloride (1:1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
327.8 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
327.1601214 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
327.1601214 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
58.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
350
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Levobunolol Hydrochloride (annotation moved to)
Gene Count
Sympatholytics
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. (See all compounds classified as Sympatholytics.)
Adrenergic beta-Antagonists
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. (See all compounds classified as Adrenergic beta-Antagonists.)
Pictogram(s)
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
ECHA C&L Notifications Summary
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=DNTDOBSIBZKFCP-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Bunolol hydrochloridehttps://commonchemistry.cas.org/detail?cas_rn=31969-05-8
- ChemIDplusBunolol hydrochloride [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0031969058ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox5-[3-(tert-Butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one--hydrogen chloride (1/1)https://comptox.epa.gov/dashboard/DTXSID50953855CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice[No public or meaningful name is available]https://echa.europa.eu/substance-information/-/substanceinfo/100.170.030
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingBUNOLOL HYDROCHLORIDEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/W0Q9J8634Z
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlTarget-based classification of drugshttp://www.genome.jp/kegg-bin/get_htext?br08310.keg
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- Springer Nature
- Wikidatabunolol hydrochloridehttps://www.wikidata.org/wiki/Q27292157
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlSympatholyticshttps://www.ncbi.nlm.nih.gov/mesh/68013565Adrenergic beta-Antagonistshttps://www.ncbi.nlm.nih.gov/mesh/68000319
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- PATENTSCOPE (WIPO)SID 388676873https://pubchem.ncbi.nlm.nih.gov/substance/388676873
- NCBI
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