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

CAS: 77-38-3 Cat. No.: C195009 분자식: C₁₈H₂₂ClNO 분자량: 303.83 EC 번호: 616-456-4

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

ANTAGONIST

작동 메커니즘

Histamine H1 receptor antagonist

순수함

≥98%

제품 특성

ALogP

4.1

이름과 식별자

Pubchem Sid

488180072

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

MES-SA (905 Activities)

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관련 대상(비인간)

SARS-CoV-2 (38078 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : ≥ 48 mg/mL (157.98 mM)
• 분자량: 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

자주 묻는 질문

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.