Chlorphenoxamine - ≥98% , Histamine H1 receptor antagonist, CAS No.77-38-3, Histamine H1 receptor antagonist

CAS: 77-38-3 Cat. No.: C195009 分子式: C₁₈H₂₂ClNO 分子量: 303.83 EC番号: 616-456-4

GRADE & PURITY ≥98%

Synonyms

AS-76607 | Contristamine | p-Chlor-alpha-methyl-diphenhydramin [German] | 4-06-00-04717 (Beilstein Handbook Reference) | Clorfenossamina [DCIT] | 2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]-N,N-dimethyl-ethanamine | 2-[1-(4-Chlorophenyl)-1-phenylethoxy]-N,N-di

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Chlorphenoxamine is an antihistamine and anticholinergic used as an antipruritic and antiparkinsonian agent

Specifications

同義語

AS-76607 | Contristamine | p-Chlor-alpha-methyl-diphenhydramin [German] | 4-06-00-04717 (Beilstein Handbook Reference) | Clorfenossamina [DCIT] | 2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]-N,N-dimethyl-ethanamine | 2-[1-(4-Chlorophenyl)-1-phenylethoxy]-N,N-di

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ANTAGONIST

作用メカニズム

Histamine H1 receptor antagonist

純度

≥98%

製品の性質

ALogP

4.1

名前と識別子

パブケム・シド

488180072

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180072

カノニカル・スマイル

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN(C)C

IUPAC Name

2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

InChIKey

KKHPNPMTPORSQE-UHFFFAOYSA-N

INCHI

1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3

異性体SMILES

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN(C)C

分子量

303.83

Reaxy-Rn

2057618

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057618&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzylethers Chlorobenzenes Aryl chlorides Trialkylamines Dialkyl ethers Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Benzylether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: 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

関連ターゲット（人間）

MES-SA (905 Activities)

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関連ターゲット（非人間）

SARS-CoV-2 (38078 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : ≥ 48 mg/mL (157.98 mM)
• 分子量: 303.800 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 303.139 Da
• Monoisotopic Mass: 303.139 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 296.000
• 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: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 77-38-3, the molecular formula is C18H22ClNO, and the molecular weight is 303.83 g/mol. InChIKey KKHPNPMTPORSQE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.