基本情報
- CAS
536-43-6- 標準SMILES
CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl- InChIKey
KNZADIMHVBBPOA-UHFFFAOYSA-N- 分子式
- C18H28ClNO2
- 平均分子量
- 325.9 g/mol
- 単同位体質量
- 325.1808568
概要
Dyclonine Hydrochloride is the hydrochloride salt of Dyclonine, an unclassified compound with local anesthetic effect. Dyclonine reversibly binds to activated sodium channels on the neuronal membrane, thereby decreasing the neuronal membrane's permeability to sodium ions, leading to an increased threshold for excitation. This reversibly stabilizes the membrane and inhibits depolarization, leading to the failure of a propagated action potential and subsequent conduction blockade. This results in a transient and reversible loss of sensation in a localized area of the body.
名称と識別子
- 優先名称
- Dyclonine Hydrochloride
- IUPAC
- 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
- 現地名
- ジクロニン塩酸塩
- 英語名
- Dyclonine hydrochloride
- 分子式
- C18H28ClNO2
- 分子量
- 325.87
名称と別名
Dyclonine hydrochloride536-43-6Dyclonine HCLDyclone4'-Butoxy-3-piperidinopropiophenone hydrochlorideDTXSID6045323NSC-23018ZEC193879QDyclonine hydrochloride (USP)Dyclonine hydrochloride [USP]DTXCID4025323NSC23018
名称をさらに表示
ジクロニン塩酸塩4'-ブトキシ-3-ピペリジノプロピオフェノン塩酸塩塩酸ジクロニン4′-ブトキシ-β-ピペリジノプロピオフェノン・塩酸塩ジクロニン・塩酸塩1-(4-ブトキシフェニル)-3-(1-ピペリジニル)-1-プロパノン・塩酸塩c5422tanaclone1-(4-butoxyphenyl)-3-(1-piperidinyl)-1-propanone1-(4-Butoxyphenyl)-3-(piperidin-1-yl)propan-1-one hydrochlorides154p-267dicloniaDYCLONLNEdyclothane
4-n-Butoxy-beta-(1-piperidyl)propiophenone hydrochlorideCHEBI:4725DycloproRefChem:55083Sucrets Sore Throat Wild Cherry1-Propanone,1-(4-butoxyphenyl)-3-(1-piperidinyl)-,hydrochloride208-633-61-(3-(4-butoxyphenyl)-3-oxopropyl)piperidinium chloride
物性
構造計算による物性
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 8
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 292
実験および物理化学的性質
Solubility>48.9 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
Breast Feeding; Lactation; Anesthetics, Local
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section179.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 175 · 175-176°C
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 溶解性
- DMSO (20 mg/ml) に可溶。水（25mg/ml）
- 外見
- 個体
- 色
- 白い
- 水溶解度
- 水に部分的に溶ける。クロロホルム、エタノール、アセトン、メタノールに可溶。
- Merck
- 14 · 14,3473
- 安定性
- 2 · 購入日から2年間安定です。 DMSO または蒸留水に溶解したこの溶液は、-20°C で 2 か月間保存できます。
- 主な用途
- 医薬品（低分子化合物）
- InChI
- InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H
- InChIKey
- KNZADIMHVBBPOA-UHFFFAOYSA-N
- SMILES
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
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- 3
- rtecs
- UG8750000
- ridadr
- 3249
- hs_code
- 2933399090
- risk_code
- 22-37/38-41
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.
応用分野
使用Dyclonine hydrochloride is used for the temporary relief of the following occasional mouth and throat symptoms: pain, minor irritation, sore mouth and sore throat. It is a sodium channel blocker and a HSP90 chaperone protein inhibitor. It shows local anesthetic effects in vivo and is orally active.
上流・下流製品情報
上流原料
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司
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