基本情報
- CAS
3055-99-0- 標準SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO- InChIKey
ONJQDTZCDSESIW-UHFFFAOYSA-N- 分子式
- C30H62O10
- 平均分子量
- 582.8 g/mol
- 単同位体質量
- 582.43429817
概要
Polidocanol is a hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group. It has a role as a nonionic surfactant, a hepatotoxic agent and a sclerotherapy agent. It is functionally related to a nonaethylene glycol.
名称と識別子
- 優先名称
- Nonaethylene Glycol Monododecyl Ether
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
- 現地名
- ポリドカノール
- 英語名
- Nonaethylene glycol monododecyl ether
- 分子式
- C30H62O10
- 分子量
- 582.81
名称と別名
Polidocanol3055-99-0Nonaethylene glycol monododecyl etherAscleraAethoxy-sklerolnonaethylene glycol monolauryl etherVARITHENAPEG-9 lauryl etherMacrogol 9 lauryl etherdodecyl nonaoxyethylene ether2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanolDodecylnonaoxyethylene glycol monoether
名称をさらに表示
26-(ドデシルオキシ)-3,6,9,12,15,18,21,24-オクタオキサヘキサコサン-1-オールドデシルノナ(オキシエチレン)エーテル3,6,9,12,15,18,21,24,27-ノナオキサノナトリアコンタン-1-オールノナエチレングリコールモノドデシルエーテルノナオキシエチレンn-ドデシルエーテルPOE(9)ラウリルエ-テルANAPOE® -C12E9ニッコールBL-9EXポリドカノール (JAN)(26-ヒドロキシ-3,6,9,12,15,18,21,24-オクタオキサヘキサコサン-1-イル)ドデシルエーテルポリドカノールDodecylnonaglycol3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-olPolydocacolPolyether polyoANAPOE (R) -C12E9
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 103 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 37
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 431
実験および物理化学的性質
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
Cosmetics
Cosmetic ingredients (Laureth-9) -> CIR (Cosmetic Ingredient Review)
Emulsifying
Solubilitymiscible
Human Drugs
Breast Feeding; Lactation; Milk, Human; Detergents; Sclerosing Solutions; Sclerotherapies; Surface-Active Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point33-36 °C
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
物理化学的性質
- 融点
- 33 · 33-36 °C
- 沸点
- 615.9 · 615.9±50.0 °C(Predicted)
- 比重(密度)
- 1.007 · 1.007±0.06 g/cm3 (20 ºC 760 Torr)
- 屈折率
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationDodecylnonaoxyethylene glycol monoether: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (50%)
毒性情報
Toxicity Summary
The CIR Expert Panel concluded that the alkyl PEG ethers, listed below, are safe in the present practices of use and concentration described in this safety assessment when formulated to be nonirritating. This assessment is also intended to address future alkyl PEG ether cosmetic ingredients that vary from those ingredients recited herein only by the number of ethylene glycol repeat units...Laureth-9...
Safe for use in cosmetics, with qualifications
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Polidocanol
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
化学と産業
薬理情報
ATC Code
C05BB02
C - Cardiovascular system
QC - Cardiovascular system
Protein BindingPlasma protein binding was not measured.
PharmacodynamicsPolidocanol has a concentration and volume dependent damaging effect on the blood vessel endothelium.
Mechanism of Action
When administered, polidocanol locally damages blood vessel endothelium. Following the endothelial damage, platelets aggregate at the site and attach to the venous wall eventually resulting in a dense network of platelets, cellular debris, and fibrin that occludes the vessel. Eventually the vessel is replaced by connective fibrous tissue.
Biological Half-LifeThe half-life is approximately 1.5 h.
Metabolism/MetabolitesMetabolism was not measured.
FDA Pharmacological Classification
0AWH8BFG9A
POLIDOCANOL
Established Pharmacologic Class [EPC] - Sclerosing Agent
Mechanisms of Action [MoA] - Sclerosing Activity
Physiologic Effects [PE] - Vascular Sclerosing Activity
Polidocanol is a Sclerosing Agent. The mechanism of action of polidocanol is as a Sclerosing Activity. The physiologic effect of polidocanol is by means of Vascular Sclerosing Activity.
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Chemical agents injected into blood vessels and lymphatic sinuses to shrink or cause localized THROMBOSIS; FIBROSIS, and obliteration of the vessels. This treatment is applied in a number of conditions such as VARICOSE VEINS; HEMORRHOIDS; GASTRIC VARICES; ESOPHAGEAL VARICES; PEPTIC ULCER HEMORRHAGE.
関連反応
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化合物ノート
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