Chlorphenoxamine
Grundinformationen
- CAS
77-38-3- Standard-SMILES
CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1- InChIKey
KKHPNPMTPORSQE-UHFFFAOYSA-N- Summenformel
- C18H22ClNO
- Durchschnittliche Molmasse
- 303,8 g/mol
- Monoisotopische Masse
- 303,138992
Überblick
Chlorphenoxamine is a diarylmethane. It has a role as an anticoronaviral agent.
Namen und Bezeichner
- Bevorzugter Name
- Chlorphenoxamine
- IUPAC
- 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
- Englischer Name
- Chlorphenoxamine
- Summenformel
- C18H22ClNO
- Molmasse
- 303.83
Namen und Synonyme
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
Weitere Namen anzeigen
RMA-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]
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 12,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 296
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals
Human DrugsPharmaceuticals
Physikochemische Eigenschaften
- Siedepunkt
- 0.05 · bp0.05 150-155°
- Dichte
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
- pka
- 8.71 · 8.71±0.28(Predicted)
- Farbe
- Light Yellow
- 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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
Regulatory InformationREACH registered substance: 2-(1-(p-Chlorophenyl)-1-phenylethoxy)-N,N-dimethylethylamine (EC: 616-456-4)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hazard_class
- IRRITANT
Chemie und Industrie
Pharmakologische Informationen
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
Verwendung und Herstellung
UsesUse (kg; approx.) in Germany (2009): >100
Use ClassificationPharmaceuticals
Anwendungen
VerwendenChlorphenoxamine, is an antihistaminic preparation used as a treatment for antibacterial infections.
Darstellung
synthetischeChlorphenoxamine 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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