基本情報
- CAS
483-63-6- 標準SMILES
CC=CC(=O)N(CC)c1ccccc1C- InChIKey
DNTGGZPQPQTDQF-UHFFFAOYSA-N- 分子式
- C13H17NO
- 平均分子量
- 203.28 g/mol
- 単同位体質量
- 203.13101417
概要
Crotamiton is a scabicidal and antipruritic agent available as a cream or lotion for topical use only. It is a colorless to slightly yellowish oil, having a faint amine-like odor. It is miscible with alcohol and with methanol.
名称と識別子
- 優先名称
- Crotamiton
- IUPAC
- N-ethyl-N-(2-methylphenyl)but-2-enamide
- 現地名
- クロタミトン
- 英語名
- Crotamiton
- 分子式
- C13H17NO
- 分子量
- 203.28
名称と別名
CrotanN-ethyl-N-(2-methylphenyl)but-2-enamideDTXSID6040664CrotamitoneCrotalginCrotamitonumD6S4O4XD0HDTXCID4020664CHEBI:31439NSC-758951RefChem:58614N-ethylcrotono-o-toluidide
名称をさらに表示
N-エチル-N-o-トリル-2-ブテンアミドクロタミトンクロタミテックスN-エチル-N-(2-メチルフェニル)-2-ブテンアミドユーラキシルオイラックスベトイサンユーラックスクロタルギンオイラキシルN-エチル-2'-メチルブタ-2-エンアニリドＮエチルＮクロトノイル２トルイジンクロタマイトンクロタミトン (JAN)N-エチル-N-(2-メチルフェニル)ブタ-2-エンアミドN-ETHYL-O-CROTONOTOLUIDIDEn-ethyl-n-(2-methylphenyl)-butenamideEurasilEuraxilVeteusanCrotamtexVet-eusanClomitone
207-596-32-Butenamide, N-ethyl-N-(2-methylphenyl)-483-63-6Crotamitoncrotonyl-N-ethyl-o-toluidineEuraxCrotamiton (Cis/Trans Mixture)N-ethyl-N-(o-tolyl)but-2-enamide
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 20.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 235
実験および物理化学的性質
LogP2.9
Solubility3.53e-01 g/L
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point
< 25 °C
< 25 °C
Physical DescriptionSolid
Collision Cross Section157.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6040664]
物理化学的性質
- 融点
- 25 °C · 25°C
- 沸点
- 153 · 153-155 °C/13 mmHg (lit.)
- 比重(密度)
- 0.987 g/mL · 0.987 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n 20/D 1.54 (lit.)
- 闪点
- 113 °C · 113 °C - closed cup
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- エタノール：可溶
- 外見
- oil
- 酸解離定数(Pka)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 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
Other Safety InformationIMAP assessments - 2-Butenamide, N-ethyl-N-(2-methylphenyl)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 3
- rtecs
- GQ7000000
- hs_code
- 2924296000
- risk_code
- 22-36/38-43
- 化審法
- 9-214
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
ATC CodeQP - Antiparasitic products, insecticides and repellents
Pharmacodynamics
Crotamiton is usually used to treat pruritis (itching of the skin) caused by scabies or sunburn. Crotamiton relieves itching by producing what is called a counter-irritation. As crotamiton evaporates from the skin, it produces a cooling effect. This cooling effect helps to divert your body's attention away from the itching. Due to this cooling effect it is also effective for the relief of sunburn. The drug is also believed to kill scabies through an unknown mechanism.
Mechanism of Action
Crotamiton is an antiparasitic that is toxic to the scabies mite. Crotamiton also relieves itching by producing what is called a counter-irritation. As crotamiton evaporates from the skin, it produces a cooling effect. This cooling effect helps to divert your body's attention away from the itching.
MeSH Pharmacological ClassificationChemicals used to destroy pests of any sort. The concept includes fungicides (FUNGICIDES, INDUSTRIAL); INSECTICIDES; RODENTICIDES; etc.
Absorption, Distribution and Excretion10 % absorbed when applied locally.
Cellular LocationsMembrane
用途と製造
UsesUse (kg; approx.) in Germany (2009): >100
応用分野
説明Crotamiton is available as a 10% cream for the treatment of scabies, although it is less effective than pyrethrins or permethrin. Because crotamiton may need to be applied a second time for successful treatment of scabies but the pyrethrins or permethrin require a single application, poor patient compliance with crotamiton may reduce its effectiveness. The advantage of crotamiton over lindane comes from the fact that lindane has potential neurotoxicity if absorbed especially in infants and children, whereas crotamiton has less systemic neurotoxicity.
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