Basic information
- CAS
59939-16-1- Standard SMILES
c1ccc(C2CC2)c(OCC2=NCCN2)c1- InChIKey
YAORIDZYZDUZCM-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.12626314
Overview
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole is an aromatic ether.
Names & identifiers
- Preferred name
- Cirazoline
- IUPAC
- 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole
- English name
- CIRAZOLINE HYDROCHLORIDE
- Molecular formula
- C13H16N2O
- Molecular weight
- 216.28
Names & synonyms
cirazoline59939-16-1Cirazolina2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazoleCirazolinumLD-3098DTXSID4045131QK318GVY3Y2-(2'-cyclopropylphenoxymethyl)imidazoline hydrochlorideDTXCID20251312-((2-cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazoleRefChem:126334
Show more names
Cirazoline D4Cirazoline (free base)CIRAZOLINE HYDROCHLORIDE2-[(2-Cyclopropylphenoxy)methyl]-2-imidazoline2-(2-CYCLOPROPYLPHENOXYMETHYL)IMIDAZOLINE HYDROCHLORIDE1H-Imidazole, 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-2-[(2-CYCLOPROPYLPHENOXY)METHYL]-4,5-DIHYDRO-1H-IMIDAZOLE HYDROCHLORIDE
1H-Imidazole, 2-((2-cyclopropylphenoxy)methyl)-4,5-dihydro-, monohydrochlorideCirazoline [INN]CHEMBL138522-((o-Cyclopropylphenoxy)methyl)-2-imidazolineNCGC00015196-041H-Imidazole, 2-((2-cyclopropylphenoxy)methyl)-4,5-dihydro-Cirazolinum [INN-Latin]Cirazolina [INN-Spanish]
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP0.98
Physicochemical properties
- Boiling point
- 409.5 · 409.5±38.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- solubility
- 2 O: · H2O: >35 mg/mL
- form
- solid
- pka
- 9.84 · 9.84±0.40(Predicted)
- color
- white
- FDA UNII
- 318 GVY3Y · QK318GVY3Y
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to cause constriction of the blood vessels.
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)
Compounds that bind to and activate ADRENERGIC ALPHA-1 RECEPTORS.
Applications
UsesCirazoline is a potent α-1 adrenergic receptor agonist and an even more potent α-2 receptor antagonist. It is a particularly effective vasoconstricting agent.
Suppliers4 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole is an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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