Tetryzoline - ≥98% , CAS No.84-22-0

CAS: 84-22-0 Cat. No.: T413318 Formule: C₁₃H₁₆N₂ Poids moléculaire: 200.28 Numéro CE: 201-522-3 PubChem CID: 5419

QUALITÉ & PURETÉ ≥98%

Synonyms

NINDS_000854 | 5-23-07-00394 (Beilstein Handbook Reference) | HMS3561J13 | Prestwick0_000698 | NCGC00016018-19 | UNII-S9U025Y077 | (-)-Tetrahydrozoline | HSDB 7471 | rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline | 1H-Imidazole, 4,5-dihydro-2-(1,2,3,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Tetryzoline Tetryzoline (Tetrahydrozoline) is an alpha-adrenergic agonist used in some over-the-counter eye drops and nasal sprays.

Spécifications

Synonymes

NINDS_000854 | 5-23-07-00394 (Beilstein Handbook Reference) | HMS3561J13 | Prestwick0_000698 | NCGC00016018-19 | UNII-S9U025Y077 | (-)-Tetrahydrozoline | HSDB 7471 | rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline | 1H-Imidazole, 4,5-dihydro-2-(1,2,3,

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Tetryzoline (Tetrahydrozoline) is an alpha-adrenergic agonist used in some over-the-counter eye drops and nasal sprays.

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.

Type d'action

AGONIST

Pureté

≥98%

Propriétés du produit

ALogP

2.185

Nombre de HBD

1

Liaison rotative

1

Noms et identifiants

Pubchem Sid

504750888

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750888

Sourires canoniques

C1CC(C2=CC=CC=C2C1)C3=NCCN3

IUPAC Name

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

InChIKey

BYJAVTDNIXVSPW-UHFFFAOYSA-N

INCHI

1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)

Isomères SMILES

C1CC(C2=CC=CC=C2C1)C3=NCCN3

PubChem CID

5419

Poids moléculaire

200.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• 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: Tetralin - 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 tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• External Descriptors: carboxamidine - imidazolines

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

• Solubilité: Solubility (25°C) In vitro DMSO: 40 mg/mL (199.72 mM); Ethanol: -1 mg/mL
• DMSO (mg/mL) Solubilité maximale: 40
• DMSO (mM) Solubilité maximale: 199.720391451967
• Eau (mg/mL) Solubilité maximale: -1
• Poids moléculaire: 200.280 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 200.131 Da
• Monoisotopic Mass: 200.131 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 259.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1