Grundinformationen
- CAS
91-85-0- Standard-SMILES
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1- InChIKey
GULNIHOSWFYMRN-UHFFFAOYSA-N- Summenformel
- C16H22N4O
- Durchschnittliche Molmasse
- 286,37 g/mol
- Monoisotopische Masse
- 286,17936134
Überblick
Thonzylamine appears as an oily liquid. Used (in the form of the hydrochloride) as an antihistamine.
Namen und Bezeichner
- Bevorzugter Name
- Thonzylamine
- IUPAC
- N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
- Lokaler Name
- Thonzylamin
- Englischer Name
- thonzylamine
- Summenformel
- C16H22N4O
- Molmasse
- 286.37
Namen und Synonyme
thonzylamine91-85-0NeohetramineTonzilamineTonzilaminaThonzylaminumTonamil2-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino)pyrimidineR79646H5Z8N,N-Dimethyl-N'-(p-methoxybenzyl)-N'-(2-pyrimidyl)ethylenediamineDTXSID8043864Pyrimidine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-
Weitere Namen anzeigen
NCI-C-60708Brn 0284655Einecs 202-103-8thonzylamine USP/EP/BP2-piriMidinaN-[2-(Dimethylamino)ethyl]-N-(4-methoxybenzyl)pyrimidin-2-amine
Pyrimidine, 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]-N-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amineN-(2-(dimethylamino)ethyl)-N-((4-methoxyphenyl)methyl)pyrimidin-2-amineRefChem:189696DTXCID6023864D04AA01R01AC06R06AC06
Datenbank-Bezeichner
- CAS
91-85-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 41,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 273
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
SolubilityHighly Soluble
Melting Point173-176
Physical DescriptionThonzylamine appears as an oily liquid. Used (in the form of the hydrochloride) as an antihistamine.
Collision Cross Section166.44 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Siedepunkt
- 428.74 °C · 428.74°C (rough estimate)
- Dichte
- 1.0426 · 1.0426 (rough estimate)
- Brechungsindex
- 1.585 · 1.5850 (estimate)
- storage temp.
- Hygroscopic, Refrigerator, Under inert atmosphere
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Regulatory InformationChemical: 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. Hazardous decomposition products. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
THONZYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Sicherheit und Schutzausrüstung
Fire Fighting
This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Chemie und Industrie
Pharmakologische Informationen
ATC Code
D - Dermatologicals
R - Respiratory system
R - Respiratory system
QD - Dermatologicals
QR - Respiratory system
QR - Respiratory system
PharmacodynamicsThonzylamine is a first-generation antihistamine. It antagonizes the action of histamine to relief allergic symptoms like nasal congestion, runny nose, itchy eyes, itchy nose and throat, and sneezing
Mechanism of Action
Thonzylamine competes with histamine for binding to the H1 histamine receptor. Binding of histamine to this receptor stimulates vasodilation and increased vascular permeability leading to nasal congestion and runny nose. Histamine also produces itchiness by stimulating nerve endings which can result in sneezing. By blocking these effects, thonzylamine can reduce or eliminate symptoms of allergic rhinitis.
MeSH Pharmacological ClassificationDrugs 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.
Metabolite PathwaysThonzylamine H1-Antihistamine Action
Anwendungen
VerwendenThonzylamine is a selective H1-histamine receptor anatagonists. Tropine esterase inhibitor.
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