Xylometazoline - Moligand™, ≥96% , Adrenergic receptor alpha agonist, CAS No.526-36-3, Adrenergic receptor alpha agonist

CAS: 526-36-3 Cat. No.: X413351 Formule: C₁₆H₂₄N₂ Poids moléculaire: 244.37 PubChem CID: 5709

GRADE & PURITY Moligand™, ≥96%

Synonyms

2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole | 2-(4-tert-Butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole | 2-(4'-tert-butyl-2',6'-dimethylphenylmethyl)imidazoline | Balminil | NCGC00016101-05 | SPBio_002186 | 5-23-07-00109 (Beilstein H

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Xylometazoline (Ba-11391, Otrivine, Rhinoxilin) is a nasal vasoconstricting decongestant drug which is used to improve symptoms of nasal congestion, allergic rhinitis, and sinusitis.

Specifications

Synonymes

2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole | 2-(4-tert-Butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole | 2-(4'-tert-butyl-2',6'-dimethylphenylmethyl)imidazoline | Balminil | NCGC00016101-05 | SPBio_002186 | 5-23-07-00109 (Beilstein H

Spécifications et pureté

Moligand™, ≥96%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Adrenergic receptor alpha agonist

Pureté

≥96%

Propriétés du produit

ALogP

3.524

Nombre de HBD

1

Liaison rotative

3

Noms et identifiants

Pubchem Sid

504750928

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750928

Sourires canoniques

CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C

IUPAC Name

2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

InChIKey

HUCJFAOMUPXHDK-UHFFFAOYSA-N

INCHI

1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)

Isomères SMILES

CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C

PubChem CID

5709

Poids moléculaire

244.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: m-Xylenes Imidolactams Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpropane - M-xylene - Xylene - Imidolactam - 2-imidazoline - Amidine - Carboxylic acid amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: alkylbenzene

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

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Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 49
• DMSO (mM) Solubilité maximale: 200.507406498077
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 244.370 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 244.194 Da
• Monoisotopic Mass: 244.194 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 302.000
• 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

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 526-36-3, the molecular formula is C16H24N2, and the molecular weight is 244.37 g/mol. InChIKey HUCJFAOMUPXHDK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.