Naphazoline hydrochloride - Moligand™, ≥99% , Adrenergic receptor alpha agonist, CAS No.550-99-2, Adrenergic receptor alpha agonist

CAS: 550-99-2 Cat. No.: N113459 Molecular Weight: 246.74 EC Number: 208-989-2

GRADE & PURITY Moligand™, ≥99%

Synonyms

Sanorin | Tox21_111255 | 2-(1-Naphthylmethyl)-2-imidazoline monohydrochloride | Clera hydrochloride | Naphazoline hydrochloride (Naphcon) | Naphazoline hydrochloride [USP:JAN] | CCG-40122 | Naphazoline hydrochloride [JAN] | Niazol | Opcon | s2519 | SCHEMB

Storage

Room temperature

Shipped In

Normal

Overview

Naphazoline HCl is an ocular vasoconstrictor and imidazoline derivative sympathomimetic amine.

Specifications

Synonyms

Sanorin | Tox21_111255 | 2-(1-Naphthylmethyl)-2-imidazoline monohydrochloride | Clera hydrochloride | Naphazoline hydrochloride (Naphcon) | Naphazoline hydrochloride [USP:JAN] | CCG-40122 | Naphazoline hydrochloride [JAN] | Niazol | Opcon | s2519 | SCHEMB

Specifications & Purity

Moligand™, ≥99%

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Adrenergic receptor alpha agonist

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488181252
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181252
• Canonical Smiles: C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.Cl
• IUPAC Name: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
• InChIKey: DJDFFEBSKJCGHC-UHFFFAOYSA-N
• INCHI: 1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H
• Isomeric SMILES: C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.Cl
• WGK Germany: 3
• RTECS: NJ4375000
• UN Number: 2811
• Molecular Weight: 246.74
• Reaxy-Rn: 3716843
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3716843&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Imidolactams Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Imidolactam - 2-imidazoline - Amidine - Carboxylic acid amidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: organic molecular entity

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GMNN Tbio Geminin (128009 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Rattus norvegicus (775804 Activities)

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Taar1 Trace amine-associated receptor 1 (899 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Adra1b Adrenergic receptor alpha-1 (5652 Activities)

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Adra2c Adrenergic receptor alpha-2 (3313 Activities)

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TyR1 (19 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water 170 g/L, alcohol, DMSO, ethanol.
• Sensitivity: Hygroscopic
• Melt Point(°C): 254-260°C
• Molecular Weight: 246.730 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 246.092 Da
• Monoisotopic Mass: 246.092 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 272.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Haoyue Guan, Xiaoxu Han, Jingwen Sun, Jing Wang, Baoming Ning, Huimin Sun, Xia Zhao.  (2025)  Study on the Adsorption Behavior of Preservatives in Multidose Eye Drops and Their Interaction with Packaging Materials.  ACS Omega,      [PMID:41427174] [10.1021/acsomega.5c08314]