4-Hydroxy Xylazine - Moligand™, ≥97% , CAS No.145356-32-7

CAS: 145356-32-7 Cat. No.: H337464 Formule: C₁₂H₁₆N₂OS Poids moléculaire: 236.33 Numéro CE: 962-075-4 PubChem CID: 46781929

GRADE & PURITY Moligand™, ≥97%

Synonyms

N-(4-hydroxy-2,6-dimethylphenyl)-5,6-dihydro-4h-1,3-thiazin-2-amine | 4-(5,6-Dihydro-4H-1,3-thiazin-2-ylamino)-3,5-dimethylphenol | 4-(5,6-Dihydro-4h-1,3-thiazin-2-ylamino)-3,5-dimethyl-phenol | 4-Hydroxy Xylazine | L34LJ2G97U | J-008092 | FT-0670238 | Ph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

4-Hydroxy Xylazine is a major metabolite of the α|2|-adrenergic receptor agonist Xylazine, an aniline derivative used as a zoological sedative. 4-Hydroxy Xylazine is particularly important as a marker for identifying the initial presence of Xylazine in the systems of horses in doping control experiments.

Specifications

Synonymes

N-(4-hydroxy-2,6-dimethylphenyl)-5,6-dihydro-4h-1,3-thiazin-2-amine | 4-(5,6-Dihydro-4H-1,3-thiazin-2-ylamino)-3,5-dimethylphenol | 4-(5,6-Dihydro-4h-1,3-thiazin-2-ylamino)-3,5-dimethyl-phenol | 4-Hydroxy Xylazine | L34LJ2G97U | J-008092 | FT-0670238 | Ph

Spécifications et pureté

Moligand™, ≥97%

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™

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528760998
• Sourires canoniques: CC1=CC(=CC(=C1NC2=NCCCS2)C)O
• IUPAC Name: 4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3,5-dimethylphenol
• InChIKey: FXWQWFCVDXMJNM-UHFFFAOYSA-N
• INCHI: 1S/C12H16N2OS/c1-8-6-10(15)7-9(2)11(8)14-12-13-4-3-5-16-12/h6-7,15H,3-5H2,1-2H3,(H,13,14)
• Isomères SMILES: CC1=CC(=CC(=C1NC2=NCCCS2)C)O
• PubChem CID: 46781929
• Poids moléculaire: 236.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Meta cresols
• Alternative Parents: p-Aminophenols m-Xylenes Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids 1,3-thiazines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: P-aminophenol - Aminophenol - M-xylene - Xylene - M-cresol - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Meta-thiazine - Monocyclic benzene moiety - Isothiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO and Methanol
• Point de fusion (°C): >234° C (dec.)
• Poids moléculaire: 236.340 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.098 Da
• Monoisotopic Mass: 236.098 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 258.000
• 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