기본 정보
- CAS
91-85-0- 표준 SMILES
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1- InChIKey
GULNIHOSWFYMRN-UHFFFAOYSA-N- 분자식
- C16H22N4O
- 평균 분자량
- 286.37 g/mol
- 단동위원소 질량
- 286.17936134
개요
Thonzylamine appears as an oily liquid. Used (in the form of the hydrochloride) as an antihistamine.
이름 및 식별자
- 우선 이름
- Thonzylamine
- IUPAC
- N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
- 현지명
- 손질아민
- 영어명
- thonzylamine
- 분자식
- C16H22N4O
- 분자량
- 286.37
이름 및 동의어
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)-
이름 더 보기
손질아민NCI-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
데이터베이스 식별자
- CAS
91-85-0- PubChem CID
- 5457
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 41.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 273
실험 및 물리화학적 성질
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]
물리화학적 성질
- 끓는 점
- 428.74 °C · 428.74°C (rough estimate)
- 밀도
- 1.0426 · 1.0426 (rough estimate)
- 굴절률
- 1.585 · 1.5850 (estimate)
- 저장 조건
- Hygroscopic, Refrigerator, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 2.17 · pKa 2.17 (Uncertain);8.96 (Uncertain)
- 색상
- 밝은 갈색에서 갈색까지
- 수용성
- 5.441 g/L · 5.441g/L(37.5ºC)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
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.
안전 및 보호
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.
화학 및 산업
약리 정보
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
응용 분야
용도Thonzylamine is a selective H1-histamine receptor anatagonists. Tropine esterase inhibitor.
일반 설명An oily liquid. Used (in the form of the hydrochloride) as an antihistaminic.
공급사36 곳
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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