Basic information
- CAS
91-85-0- Standard SMILES
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1- InChIKey
GULNIHOSWFYMRN-UHFFFAOYSA-N- Molecular formula
- C16H22N4O
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.17936134
Overview
Thonzylamine appears as an oily liquid. Used (in the form of the hydrochloride) as an antihistamine.
Names & identifiers
- Preferred name
- Thonzylamine
- IUPAC
- N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
- English name
- thonzylamine
- Molecular formula
- C16H22N4O
- Molecular weight
- 286.37
Names & synonyms
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)-
Show more names
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
Database identifiers
- CAS
91-85-0- PubChem CID
- 5457
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
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]
Physicochemical properties
- Boiling point
- 428.74 °C · 428.74°C (rough estimate)
- Density
- 1.0426 · 1.0426 (rough estimate)
- refractive index
- 1.585 · 1.5850 (estimate)
- storage temp.
- Hygroscopic, Refrigerator, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Oil
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
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.
Safety & protection
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.
Chemistry & industry
Pharmacology
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
Applications
UsesThonzylamine is a selective H1-histamine receptor anatagonists. Tropine esterase inhibitor.
General DescriptionAn oily liquid. Used (in the form of the hydrochloride) as an antihistaminic.
Suppliers36 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
成都超九八生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…