Cirazoline hydrochloride
PubChem CID
11957512
Structure
Molecular Formula
Synonyms
- Cirazoline hydrochloride
- 40600-13-3
- Cirazoline HCl
- Cirazoline (hydrochloride)
- 2-((2-Cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazolium chloride
Molecular Weight
252.74 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2006-12-01
- Modify:2025-01-11
Chemical Structure Depiction
3D Conformer of Parent
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C13H16N2O.ClH/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13;/h1-4,10H,5-9H2,(H,14,15);1H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XFRXWLWUUDJHPB-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CC1C2=CC=CC=C2OCC3=NCCN3.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H17ClN2O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
59939-16-1 (Parent)
- 2-(2'-cyclopropylphenoxymethyl)imidazoline hydrochloride
- cirazoline
- cirazoline monohydrochloride
- LD 3098
- LD-3098
- Cirazoline hydrochloride
- 40600-13-3
- Cirazoline HCl
- Cirazoline (hydrochloride)
- 2-((2-Cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazolium chloride
- LD 3098 (hydrochloride)
- 2-[(2-Cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole hydrochloride
- LD 3098
- 2-((2-cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazole hydrochloride
- 2-[(2-Cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole hydrochlorid
- 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
- SR-01000075264
- EINECS 254-995-3
- EU-0100354
- ZW7L9T3TSD
- MLS002153214
- SCHEMBL466850
- Cirazoline hydrochloride, solid
- CHEMBL1255646
- DTXSID70193610
- XFRXWLWUUDJHPB-UHFFFAOYSA-N
- Tox21_500354
- AKOS022488639
- CCG-221658
- LP00354
- NCGC00093790-01
- NCGC00261039-01
- SMR001230692
- HY-101300
- C-223
- CS-0021116
- G12574
- SR-01000075264-1
- SR-01000075264-3
- 2-((2-cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazolehydrochloride
- 2-[(2-Cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazol-3-ium;chloride
- 1H-Imidazole,2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-,hydrochloride(1:1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
252.74 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
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
252.1029409 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
252.1029409 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
33.6 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
273
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 Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Adrenergic alpha-1 Receptor Agonists
Compounds that bind to and activate ADRENERGIC ALPHA-1 RECEPTORS. (See all compounds classified as Adrenergic alpha-1 Receptor Agonists.)
Nasal Decongestants
Drugs designed to treat inflammation of the nasal passages, generally the result of an infection (more often than not the common cold) or an allergy related condition, e.g., hay fever. The inflammation involves swelling of the mucous membrane that lines the nasal passages and results in inordinate mucus production. The primary class of nasal decongestants are vasoconstrictor agents. (From PharmAssist, The Family Guide to Health and Medicine, 1993) (See all compounds classified as Nasal Decongestants.)
Vasoconstrictor Agents
Drugs used to cause constriction of the blood vessels. (See all compounds classified as Vasoconstrictor Agents.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=XFRXWLWUUDJHPB-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/4.0/1H-Imidazole, 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-, hydrochloride (1:1)https://commonchemistry.cas.org/detail?cas_rn=40600-13-3
- ChemIDplus2-((2-Cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazolium chloridehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0040600133ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-((2-Cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazolium chloridehttps://comptox.epa.gov/dashboard/DTXSID70193610CompTox 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-notice2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazolium chloridehttps://echa.europa.eu/substance-information/-/substanceinfo/100.049.979
- 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#linkingCirazoline hydrochloridehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZW7L9T3TSD
- 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.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Springer Nature
- Wikidata2-((2-Cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazolium chloridehttps://www.wikidata.org/wiki/Q83066363
- 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.htmlAdrenergic alpha-1 Receptor Agonistshttps://www.ncbi.nlm.nih.gov/mesh/68058646Nasal Decongestantshttps://www.ncbi.nlm.nih.gov/mesh/68014663Vasoconstrictor Agentshttps://www.ncbi.nlm.nih.gov/mesh/68014662
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 390610975https://pubchem.ncbi.nlm.nih.gov/substance/390610975
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