Grundinformationen
- CAS
791-35-5- Standard-SMILES
CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl- InChIKey
WRCHFMBCVFFYEQ-UHFFFAOYSA-N- Summenformel
- C17H20ClNO
- Durchschnittliche Molmasse
- 289,8 g/mol
- Monoisotopische Masse
- 289,123342
Überblick
Clofedanol is a diarylmethane that is 2-chlorophenyl(phenyl)methane substituted on the methane carbon by a 2-(dimethylamino)ethyl group. Used in the treatment of dry cough, it suppresses the cough reflex by a direct effect on the cough centre in the medulla of the brain. It has a role as an antitussive. It is a tertiary amino compound and a diarylmethane. It is a conjugate base of a clofedanol(1+).
Namen und Bezeichner
- Bevorzugter Name
- Chlophedianol
- IUPAC
- 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
- Lokaler Name
- Clofedanol
- Englischer Name
- clofedanol
- Summenformel
- C17H20ClNO
- Molmasse
- 289.7998
Namen und Synonyme
CHLOPHEDIANOLClofedanol791-35-5ChlofedanolTussistopClophedianol baseAntitussinClofedanolumClofedianolo1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol1-Phenyl-1-(o-chlorophenyl)-3-dimethylaminopropanolalpha-(Dimethylaminoethyl)-o-chlorobenzhydrol
Weitere Namen anzeigen
DencylclofedanoCalmotusinNSC 113595ClophedianolCHLOPHENDIANOL
2-Chloro-alpha-(2-(dimethylamino)ethyl)benzhydrolDTXSID4022789NSC-113595CHEBI:13520742C50P12APDTXCID602789clofedanoloRefChem:577726
Datenbank-Bezeichner
- CAS
791-35-5- PubChem CID
- 2795
- DTXSID
DTXSID4022789- ChEMBL
CHEMBL1201313- ChEBI
CHEBI:135207- UNII
- 42C50P12AP
- EC Number
- 212-340-9
- Nikkaji
- J7.095E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 23,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 291
Experimentelle und physikochemische Eigenschaften
Solubility6.21e-02 g/L
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 120 ° · 120°
- Siedepunkt
- 429.8 · 429.8±45.0 °C(Predicted)
- Dichte
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.29(Predicted)
- CAS Datenbank
- 791 · 791-35-5
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationREACH registered substance: Clofedano (EC: 212-340-9)
Other Safety InformationIMAP assessments - Benzenemethanol, 2-chloro-.alpha.-[2-(dimethylamino)ethyl]-.alpha.-phenyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Toxikologische Informationen
Health EffectsMay have anticholinergic effects at high doses.
Exposure RoutesOral
Toxicity SummarySuppresses the cough reflex by a direct effect on the cough center in the medulla of the brain.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Sicherheitsdaten
- Toxizität
- LD50 i.v. in mice: 70 mg/kg (Lorenz)
Chemie und Industrie
Pharmakologische Informationen
ATC Code
R - Respiratory system
QR - Respiratory system
PharmacodynamicsChlophedianol (or Clofedanol) is a centrally-acting cough suppressant. It has local anesthetic and antihistamine properties, and may have anticholinergic effects at high doses.
Mechanism of ActionSuppresses the cough reflex by a direct effect on the cough center in the medulla of the brain.
Metabolism/Metabolites
Hepatic.
Hepatic.
Cellular LocationsMembrane
Verwendung und Herstellung
UsesUsed in the treatment of dry cough.
Anwendungen
Verwenden(±)-Chlophedianol is an inhalation eutectic compound, used for treatment of respiratory diseases.Also, used in preparation of Deuterated morphine derivatives useful in treatment of pain or as as antitussive agents with reduced risk of possibility of drug abuse.
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