Bemarinone Hydrochloride
PubChem CID
11954302
Structure
Molecular Formula
Synonyms
- BEMARINONE HYDROCHLORIDE
- Bemarinone HCl
- 101626-69-1
- Orf 16600
- Bemarinone hydrochloride [USAN]
Molecular Weight
256.68 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2006-11-22
- Modify:2025-01-18
See also: Bemarinone (annotation moved to).
Chemical Structure Depiction
3D Conformer of Parent
5,6-dimethoxy-4-methyl-3H-quinazolin-2-one;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H12N2O3.ClH/c1-6-9-7(13-11(14)12-6)4-5-8(15-2)10(9)16-3;/h4-5H,1-3H3,(H,12,13,14);1H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
ZEHAPDWJZZTSOT-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=C2C(=NC(=O)N1)C=CC(=C2OC)OC.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H13ClN2O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
101626-69-1
- bemarinone
- bemarinone hydrochloride
- BEMARINONE HYDROCHLORIDE
- Bemarinone HCl
- 101626-69-1
- Orf 16600
- Bemarinone hydrochloride [USAN]
- UNII-0GSS0O37A8
- RWJ 16600
- 0GSS0O37A8
- Bemarinone hydrochloride (USAN)
- ORF-16600
- RWJ-16600
- Bemarinone
- 5,6-Dimethyl-4-methyl-2(1H)-quinazolinone monohydrochloride
- 2(1H)-Quinazolinone, 5,6-dimethoxy-4-methyl-, monohydrochloride
- 5,6-Dimethoxy-4-methyl-2(1H)-quinazolinone hydrochloride
- D03072
- CHEMBL2106619
- SCHEMBL10344842
- ZEHAPDWJZZTSOT-UHFFFAOYSA-N
- Q27236766
- 5,6-dimethoxy-4-methyl-3H-quinazolin-2-one;hydrochloride
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
256.68 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
256.0614700 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
256.0614700 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
59.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
470
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
0
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 Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Bemarinone (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ZEHAPDWJZZTSOT-UHFFFAOYSA-N
- 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
- ChemIDplusBemarinone hydrochloride [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0101626691ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- 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#linkingBEMARINONE HYDROCHLORIDEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/0GSS0O37A8
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- Metabolomics Workbench
- 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
- Wikidatabemarinone hydrochloridehttps://www.wikidata.org/wiki/Q27236766
- PubChem
- 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.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388650228https://pubchem.ncbi.nlm.nih.gov/substance/388650228
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