Basic information
- CAS
77-38-3- Standard SMILES
CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1- InChIKey
KKHPNPMTPORSQE-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.138992
Overview
Chlorphenoxamine is a diarylmethane. It has a role as an anticoronaviral agent.
Names & identifiers
- Preferred name
- Chlorphenoxamine
- IUPAC
- 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
- English name
- Chlorphenoxamine
- Molecular formula
- C18H22ClNO
- Molecular weight
- 303.83
Names & synonyms
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
Show more names
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]
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
DrugsPharmaceuticals
Human DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 0.05 · bp0.05 150-155°
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 8.71 · 8.71±0.28(Predicted)
- color
- 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
- FDA UNII
- 3 UVD77BP8R · 3UVD77BP8R
- ATC code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Regulatory InformationREACH registered substance: 2-(1-(p-Chlorophenyl)-1-phenylethoxy)-N,N-dimethylethylamine (EC: 616-456-4)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
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
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >100
Use ClassificationPharmaceuticals
Applications
UsesChlorphenoxamine, is an antihistaminic preparation used as a treatment for antibacterial infections.
Preparation methods
PreparationChlorphenoxamine 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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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