Naphazoline - Moligand™, ≥98% , CAS No.835-31-4

CAS: 835-31-4 Cat. No.: N612157 Formula: C₁₄H₁₄N₂ Molecular Weight: 210.27 EC Number: 212-641-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-[(naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole | NCGC00016506-04 | NINDS_000456 | 2-(alpha-Naphthylmethyl)-imidazoline | Prestwick2_000046 | AK-Con | Clear Eyes | Naphcon-a | All Clear

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Naphazoline (Naphcon-a) is a sympathomimetic compound with marked alpha adrenergic activity. Naphazoline can be used as a vasoconstrictor with a rapid action in reducing swelling when applied to mucous membrane.

Specifications

Synonyms

2-[(naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole | NCGC00016506-04 | NINDS_000456 | 2-(alpha-Naphthylmethyl)-imidazoline | Prestwick2_000046 | AK-Con | Clear Eyes | Naphcon-a | All Clear

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528775533
• Canonical Smiles: C1CN=C(N1)Cc1cccc2c1cccc2
• IUPAC Name: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
• InChIKey: CNIIGCLFLJGOGP-UHFFFAOYSA-N
• INCHI: 1S/C14H14N2/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)
• Isomeric SMILES: C1CN=C(N1)CC2=CC=CC3=CC=CC=C32
• Molecular Weight: 210.27

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 Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Imidolactam - 2-imidazoline - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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: Not available

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)

ADRA2C Tclin Alpha-2C adrenergic receptor (2 Activities)

Discover Target: ADRA2C

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADRA1A Tclin Alpha-1A adrenergic receptor (2 Activities)

Discover Target: ADRA1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NISCH Tclin Nischarin (2 Activities)

Discover Target: NISCH

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Molecular Weight: 210.270 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.116 Da
• Monoisotopic Mass: 210.116 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 16
• 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: 1