Decloxizine dihydrochloride - ≥99% , CAS No.13073-96-6

CAS: 13073-96-6 Cat. No.: D650238 Molecular Weight: 413.38 EC Number: 642-288-6 PubChem CID: 83104

GRADE & PURITY ≥99%

Synonyms

2-(2-(4-Benzhydrylpiperazin-1-yl)ethoxy)ethanol dihydrochloride | D82636 | AC-19953 | FT-0665559 | Decloxizine (dihydrochloride) | AKOS015963273 | Decloxizine diHCl | Ethanol, 2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]-, hydrochloride (1:2) | 2-[2-(4-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Decloxizine dihydrochloride(UCB-1402; NSC289116) is a histamine 1 receptor antagonist.

Form:Solid

IC50& Target:H 1 Receptor

Specifications

Synonyms

2-(2-(4-Benzhydrylpiperazin-1-yl)ethoxy)ethanol dihydrochloride | D82636 | AC-19953 | FT-0665559 | Decloxizine (dihydrochloride) | AKOS015963273 | Decloxizine diHCl | Ethanol, 2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]-, hydrochloride (1:2) | 2-[2-(4-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Decloxizine dihydrochloride(UCB-1402; NSC289116) is a histamine 1 receptor antagonist.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

ANTAGONIST

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
• IUPAC Name: 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol;dihydrochloride
• InChIKey: RBSDUJACXBVDDN-UHFFFAOYSA-N
• INCHI: 1S/C21H28N2O2.2ClH/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;;/h1-10,21,24H,11-18H2;2*1H
• Isomeric SMILES: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
• PubChem CID: 83104
• Molecular Weight: 413.38

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: N-alkylpiperazines Aralkylamines Trialkylamines Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Hydrocarbon derivative - Amine - Alcohol - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic 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: 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

Chemical and Physical Properties

• Solubility: H2O : ≥ 100 mg/mL (241.91 mM) DMSO : ≥ 50 mg/mL (120.95 mM)
• Molecular Weight: 413.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 412.168 Da
• Monoisotopic Mass: 412.168 Da
• Topological Polar Surface Area: 35.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 328.000
• 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: 3

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