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p-アミノ安息香酸3-(ジエチルアミノ)-2,2-ジメチルプロピル

Dimethocaine

HCID 7177
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
94-15-5
標準SMILES
CCN(CC)CC(C)(C)COC(=O)c1ccc(N)cc1
InChIKey
OWQIUQKMMPDHQQ-UHFFFAOYSA-N
分子式
C16H26N2O2
平均分子量
278.39 g/mol
単同位体質量
278.19942808

概要

Dimethocaine is a benzoate ester.

名称と識別子

優先名称
Dimethocaine
IUPAC
[3-(diethylamino)-2,2-dimethylpropyl] 4-aminobenzoate
現地名
p-アミノ安息香酸3-(ジエチルアミノ)-2,2-ジメチルプロピル
英語名
Dimethocaine
分子式
C16H26N2O2
分子量
278.39

名称と別名

Dimethocaine94-15-53-(Diethylamino)-2,2-dimethylpropyl 4-aminobenzoateR3L4A6GOWZNSC-68927(3-Diethylamino-2,2-dimethyl)propyl 4-aminobenzoat1-Propanol, 3-(diethylamino)-2,2-dimethyl-, 4-aminobenzoate (ester)DTXSID40240185NSC68927RefChem:134182DTXCID40162676Larocaine
名称をさらに表示
ラロカイン3-(ジエチルアミノ)-2,2-ジメチル-1-プロパノールp-アミノベンゾアートジメトカインp-アミノ安息香酸3-(ジエチルアミノ)-2,2-ジメチルプロピル4-アミノ安息香酸3-ジエチルアミノ-2,2-ジメチルプロピル3-(ジエチルアミノ)-2,2-ジメチルプロピル 4-アミノベンゾアートLarocaine dimethocaine4-Aminobenzoesaeure-3-diethylamino-2,2-dimethylproplylesterDimercaineDiMethocineLarocaine 99%dimethylcaine
[3-(diethylamino)-2,2-dimethylpropyl] 4-aminobenzoate1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-aminobenzoate1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-aminobenzoate (ester)3-Diethylamino-2,2-dimethylpropyl 4-AminobenzoateUNII-R3L4A6GOWZNSC 68927BRN 22159672-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl; 2'-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethylbiphenyl-2,6-diamine

物性

構造計算による物性

XLogP
3.1
極性表面積
55.6 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
8
重原子数
20
形式電荷
0
複雑度
293

実験および物理化学的性質

Drugs · 2 件

DEA NFLIS-Drug Category -> Stimulants

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

物理化学的性質

融点
53 to · 53.0 to 57.0 °C
沸点
421.21 °C · 421.21°C (rough estimate)
比重(密度)
1.035 · 1.035
屈折率
1.529 · 1.5290 (estimate)
貯蔵温度
Refrigerator
溶解性
クロロホルム(微量)、DMSO(微量)、メタノール(微量)
外見
個体
酸解離定数(Pka)
10.08 · 10.08±0.25(Predicted)
色
淡いオレンジ色から薄いオレンジ色
Merck
14 · 14,3221
InChI
InChI=1S/C16H26N2O2/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13/h7-10H,5-6,11-12,17H2,1-4H3
InChIKey
OWQIUQKMMPDHQQ-UHFFFAOYSA-N
SMILES
C(OC(=O)C1=CC=C(N)C=C1)C(CN(CC)CC)(C)C
CAS データベース
94 · 94-15-5

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。

安全データ

rtecs
UB1575000

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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 · 2 件

説明Dimethocaine, also known as DMC or larocaine, is a compound with stimulating effects similar to those of cocaine. It was used in the 1930s as a local anesthetic in dentistry and ophthalmology. Just like cocaine, dimethocaine is addictive due to its stimulation of the reward pathway in the brain. However, dimethocaine is a legal cocaine replacement in some countries and is even listed by the European Monitoring Centre for Drugs and Drug Addiction (EMCDDA) under the category “synthetic cocaine derivatives”. The structure of dimethocaine, being a 4-aminobenzoic acid ester, resembles that of procaine.

使用Dimethocaine is a local anesthetic with stimulatory properties that is half the potency of cocaine. It is often abused as a legal substitute for cocaine. The drug is administered intravenously or nasally, because ingestion would lead to rapid hydrolyzation.Its positive effects are euphoria, stimulation, increased talkativeness and mood lift.However, because dimethocaine acts similar as cocaine, it has comparable negative side effects. These side effects include: tachycardia, difficulty with breathing, pain on the chest, vasoconstriction, insomnia, paranoia and anxiety.

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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関連反応

0 件
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現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
94-15-5
PubChem CID
7177
DTXSID
DTXSID40240185
ChEMBL
CHEMBL4752832
ChEBI
CHEBI:135154
UNII
R3L4A6GOWZ
Nikkaji
J4.695G

化学的性質

化学的特性Dimethocaine is a yellow chrystalline powder. It is soluble in organic solvents such as ethanol, DMSO, and dimethyl formamide, which should be purged with an inert gas.

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補足説明 · 1 件

定義ChEBI: Dimethocaine is a benzoate ester. It is derivate from cocaine, it is not a part of the organic alkaloid mix coming from a coca plant. It is very popular research chemical, mainly used as local anesthetic, but also the stimulant qualities appeared to be shown immediately.