基本情報
- CAS
91-81-6- 標準SMILES
CN(C)CCN(Cc1ccccc1)c1ccccn1- InChIKey
UFLGIAIHIAPJJC-UHFFFAOYSA-N- 分子式
- C16H21N3
- 平均分子量
- 255.36 g/mol
- 単同位体質量
- 255.17354768
概要
Tripelenamine is an oily liquid with an amine odor. (NTP, 1992)
名称と識別子
- 優先名称
- Tripelennamine
- IUPAC
- N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
- 現地名
- トリペレンナミン
- 英語名
- Tripelennamine
- 分子式
- C16H21N3
- 分子量
- 255.36
名称と別名
tripelennamine91-81-6Pyrinamine baseTripelennaminBenzoxaleResistamineCizaronTonarilPiribenzilTripelennaminaPyribenzaminTripelenamina
名称をさらに表示
ピリナミン塩基ベンゾキサルN,N-ジメチル-N'-フェニルメチル-N'-(2-ピリジニル)-1,2-エタンジアミントリペレンナミントナリルシザロンN-(2-ピリジニル)-N-ベンジル-N',N'-ジメチル-1,2-エタンジアミンN-ベンジル-N',N'-ジメチル-N-(2-ピリジル)エチレンジアミンN,N-ジメチル-N'-(フェニルメチル)-N'-(2-ピリジニル)-1,2-エタンジアミンピリベンザミン2-[[2-(ジメチルアミノ)エチル]ベンジルアミノ]ピリジンレシスタミン２［ベンジル（２’ジメチルアミノエチル）アミノ）ピリジントリペレナミンN,N-ジメチル-N′-フェニルメチル-N′-(2-ピリジニル)-1,2-エタンジアミンN-ベンジル-N′,N′-ジメチル-N-(2-ピリジル)エチレンジアミンN,N-ジメチル-N′-(フェニルメチル)-N′-(2-ピリジニル)-1,2-エタンジアミンN-ベンジル-N-[2-(ジメチルアミノ)エチル]ピリジン-2-アミンN-(2-ピリジニル)-N-ベンジル-N′,N′-ジメチル-1,2-エタンジアミンPYRIBENZAMINETripelenamineTripelennamine USP/EP/BPTripelennamine 1000 μg/mL in Acetonitrile
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 19.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 236
実験および物理化学的性質
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals
LogP
3.3
2.65
OdorAMINE ODOR
Color/FormYELLOW OIL
Solubility
Very soluble (NTP, 1992)
1 G DISSOLVES IN: 0.77 ML WATER, 6 ML ALCOHOL, 6 ML CHLOROFORM, ABOUT 350 ML ACETONE; PRACTICALLY INSOL IN BENZENE, ETHER, ETHYL ACETATE /HYDROCHLORIDE/
MISCIBLE WITH WATER
2.84e+00 g/L
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antihistamines
Pharmaceuticals
Boiling Point
365 to 374 °F at 1.7 mmHg (NTP, 1992)
19.3-20.5 °C @ 5 mm Hg
Refractive IndexINDEX OF REFRACTION: 1.5759-1.5765 @ 25 °C/D
Physical Description
Tripelenamine is an oily liquid with an amine odor. (NTP, 1992)
Solid
Stability/Shelf Life
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationTripelennamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1,2-Ethanediamine, N,N-dimethyl-N'-(phenylmethyl)-N'-2-pyridinyl-: Human health tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound may include euphoria, aplastic anemia, excitement, hallucinations, ataxia, incoordination, athetosis, convulsions, postictal depression, dry mouth, fixed dilated pupils, flushing of the face, fever, central nervous system depression, drowsiness and coma. (NTP, 1992)
FDA Requirements
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
Reactive GroupAmines, Phosphines, and Pyridines
化学と産業
薬理情報
ATC Code
D - Dermatologicals
R - Respiratory system
QD - Dermatologicals
QR - Respiratory system
Pharmacodynamics
Used to treat the effects of colds and allergies. Tripelennamine is an antihistamine. Histamine, acting on H<sub>1</sub>-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Tripelennamine is a histamine H1 antagonist. It competes with histamine for the normal H<sub>1</sub>-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.
Mechanism of Action
Tripelennamine binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.
Antihistamines used in the treatment of allergy act by competing with histamine for H1-receptor sites on effector cells. They thereby prevent, but do not reverse, responses mediated by histamine alone. Antihistamines antagonize, in varying degrees, most of the pharmacological effects of histamine, including urticaria and pruritus. Also, the anticholinergic actions of most antihistamines provide a drying effect on the nasal mucosa. /Antihistamines/
H1 antagonists inhibit most responses of smooth muscle to histamine. Antagonism of the constrictor action of histamine on respiratory smooth muscle is easily shown in vivo and in vitro. /Histamine Antagonists: H1 Antagonists/
H1 antagonists strongly block the action of histamine that results in increased permeability and formation of edema and wheal. /Histamine Antagonists: H1 Antagonists/
Within the vascular tree, the H1 antagonists inhibit both the vasoconstrictor effects of histamine and, to a degree, the more rapid vasodilator effects that are mediated by H1 receptors on endothelial cells. Residual vasodilatation reflects the involvement of H2 receptors on smooth muscle and can be suppressed only by the concurrent administration of an H2 antagonist. Effects of the histamine antagonists on histamine induced changes in systemic blood pressure parallel these vascular effects. /Histamine Antagonists: H1 Antagonists/
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