Synonyms

2-(4-BROMOBENZHYDRYLOXY)-N,N-DIMETHYLETHYLAMINE HYDROCHLORIDE | Bromodiphenhydramine hydrochloride [USP] | Bromodiphenhydramine hydrochloride, United States Pharmacopeia (USP) Reference Standard | Ethanamine, 2-((4-bromophenyl)phenylmethoxy)-N,N-dimethyl-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-(4-BROMOBENZHYDRYLOXY)-N, N-DIMETHYLETHYLAMINE HYDROCHLORIDE | Bromodiphenhydramine hydrochloride [USP] | Bromodiphenhydramine hydrochloride, United States Pharmacopeia (USP) Reference Standard | Ethanamine, 2-((4-bromophenyl)phenylmethoxy)-N, N-dimethyl-

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Tipo de acción

ANTAGONIST

Mecanismo de acción

Histamine H1 receptor antagonist

Nombres e identificadores

• Sonrisas canónicas: CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br.Cl
• IUPAC Name: 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
• InChIKey: ZQDJSWUEGOYDGT-UHFFFAOYSA-N
• INCHI: 1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H
• Isómeros SMILES: CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br.Cl
• PubChem CID: 519514
• Peso molecular: 370.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzylethers Bromobenzenes Aryl bromides Trialkylamines Dialkyl ethers Organopnictogen compounds Organobromides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Benzylether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Amine - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: hydrochloride - organobromine compound

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

Propiedades químicas y físicas

• Punto de fusión (°C): 128-134° C
• Peso molecular: 370.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 369.05 Da
• Monoisotopic Mass: 369.05 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 258.000
• 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: 2

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