Bromazine Hydrochloride , Histamine H1 receptor antagonist, CAS No.1808-12-4, Histamine H1 receptor antagonist

CAS: 1808-12-4 Cat. No.: B355163 Molecular Weight: 370.71 EC Number: 217-310-9 PubChem CID: 519514

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

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

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Histamine H1 receptor antagonist

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br.Cl
• PubChem CID: 519514
• Molecular Weight: 370.71

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 128-134° C
• Molecular Weight: 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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