Détomidine HCl - Moligand™, ≥98% , CAS No.90038-01-0

CAS: 90038-01-0 Cat. No.: D129815 Formule: C₁₂H₁₄N₂·HCl Poids moléculaire: 222.71 Numéro CE: 682-040-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

Z2756516861 | 5-(2,3-Dimethylbenzyl)imidazole Hydrochloride | 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride | AKOS024464193 | 4-[(2,3-dimethylbenzyl)]imidazole hydrochloride | SW219456-1 | SY046831 | Detomidine HCl | NCGC00182057-03 | 4-(2,3-D

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Vue d’ensemble

Detomidine HCl produit des effets sédatifs et analgésiques dose-dépendants, médiés par l'activation des récepteurs α2 des catécholamines.
Agoniste α2-adrénergique.

Specifications

Synonymes

Z2756516861 | 5-(2,3-Dimethylbenzyl)imidazole Hydrochloride | 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride | AKOS024464193 | 4-[(2,3-dimethylbenzyl)]imidazole hydrochloride | SW219456-1 | SY046831 | Detomidine HCl | NCGC00182057-03 | 4-(2,3-D

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Le chlorhydrate de détomidine est un agoniste synthétique non narcotique des récepteurs alpha-2 adrénergiques. Les agonistes alpha-2-adrénergiques produisent des effets sédatifs et analgésiques dose-dépendants, médiés par l'activation des récepteurs alpha

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Grade

Moligand™

Type d'action

AGONIST

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488183391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183391
• Sourires canoniques: CC1=C(C(=CC=C1)CC2=CN=CN2)C.Cl
• IUPAC Name: 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride
• InChIKey: OIWRDXKNDCJZSM-UHFFFAOYSA-N
• INCHI: 1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H
• Isomères SMILES: CC1=C(C(=CC=C1)CC2=CN=CN2)C.Cl
• Poids moléculaire: 222.71
• Reaxy-Rn: 10287321
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10287321&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: o-Xylenes
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-xylene - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
• 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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water, methanol, and DMSO.
• Sensibilité: Moisture sensitive
• Point de fusion (°C): 160°C
• Poids moléculaire: 222.710 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 222.092 Da
• Monoisotopic Mass: 222.092 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 181.000
• 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

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