기본 정보
- CAS
77-38-3- 표준 SMILES
CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1- InChIKey
KKHPNPMTPORSQE-UHFFFAOYSA-N- 분자식
- C18H22ClNO
- 평균 분자량
- 303.8 g/mol
- 단동위원소 질량
- 303.138992
개요
Chlorphenoxamine is a diarylmethane. It has a role as an anticoronaviral agent.
이름 및 식별자
- 우선 이름
- Chlorphenoxamine
- IUPAC
- 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
- 현지명
- 클로르페녹사민
- 영어명
- Chlorphenoxamine
- 분자식
- C18H22ClNO
- 분자량
- 303.83
이름 및 동의어
Chlorphenoxamine77-38-3ContristamineClorfenoxaminaClorfenossaminaChlorphenoxaminum3UVD77BP8R2-(1-(p-Chlorophenyl)-1-phenylethoxy)-N,N-dimethylethylamine{2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}dimethylamine(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)dimethylamineRefChem:575991D04AA34
이름 더 보기
클로르페녹사민RMA-351Chlorphenoxamine (Standard)p-Chlor-alpha-methyl-diphenhydraminInhibitor,Histamine Receptor,Chlorphenoxamine,inhibitβ-Dimethylaminoethyl(p-chloro-α-methylbenzhydryl)etherN-(2-(1-p-chlorophenyl-1-phenylethoxy)ethyl)dimethylamine
R06AA06616-456-42-(1-(4-Chlorophenyl)-1-phenylethoxy)-N,N-dimethylethanamine2-[1-(4-Chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamineClorfenossamina [DCIT]MFCD008665882-(1-(4-Chlorophenyl)-1-phenylethoxy)-N,N-dimethylethan-1-aminep-Chlor-alpha-methyl-diphenhydramin [German]
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 296
실험 및 물리화학적 성질
DrugsPharmaceuticals
Human DrugsPharmaceuticals
물리화학적 성질
- 끓는 점
- 0.05 · bp0.05 150-155°
- 밀도
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 8.71 · 8.71±0.28(Predicted)
- 색상
- 연노랑
- InChI
- 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
- InChIKey
- KKHPNPMTPORSQE-UHFFFAOYSA-N
- SMILES
- C(N(C)C)COC(C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: 2-(1-(p-Chlorophenyl)-1-phenylethoxy)-N,N-dimethylethylamine (EC: 616-456-4)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
약리 정보
ATC Code
D04AA34
D - Dermatologicals
R - Respiratory system
QR - Respiratory system
QD - Dermatologicals
Mechanism of ActionChlorphenoxamine mediates its effects through histamine H1 receptor antagonism.
MeSH Pharmacological Classification
Drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only.
Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.
Metabolite PathwaysChlorphenoxamine H1-Antihistamine Action
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >100
Use ClassificationPharmaceuticals
응용 분야
용도Chlorphenoxamine, is an antihistaminic preparation used as a treatment for antibacterial infections.
제조 방법
Chlorphenoxamine is prepared by action of methylmagnesium chloride on 4- chlorobenzophenone and subsequent alkylation of the carbinol with N,N-dimethyl-2- chloroethylamine. This compound is used in combination with 8-chlorotheophylline.
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