2-(エチルアミノ)-N-(2,6-ジメチルフェニル)アセトアミド

Monoethylglycinexylidide

HCID 24415CAS 7728-40-7

基本情報

標準SMILES: CCNCC(=O)Nc1c(C)cccc1C
InChIKey: WRMRXPASUROZGT-UHFFFAOYSA-N
分子式: C12H18N2O
平均分子量: 206.28 g/mol
単同位体質量: 206.1419132

概要

Monoethylglycinexylidide is amino acid amide formed from 2,6-dimethylaniline and N-ethylglycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function. It has a role as a drug metabolite.

名称と識別子

優先名称: Monoethylglycinexylidide
IUPAC: N-(2,6-dimethylphenyl)-2-(ethylamino)acetamide
現地名: 2-(エチルアミノ)-N-(2,6-ジメチルフェニル)アセトアミド
英語名: Monoethylglycinexylidide
分子式: C12H18N2O
分子量: 206.28

名称と別名

Monoethylglycinexylidide7728-40-7NorlidocaineEthylglycylxylidideN-EthylglycinexylidideMEGX2-Ethylamino-2,6-acetoxylidine2-Ethylamino-2',6'-acetoxylidideAcetamide, N-(2,6-dimethylphenyl)-2-(ethylamino)-DTXSID60228006D8Q99HC770N-(2,6-dimethylphenyl)-N(2)-ethylglycinamide

名称をさらに表示

モノエチルグリシルキシリジドN-(2,6-ジメチルフェニル)-Nα-エチルグリシンアミド2-(エチルアミノ)-2',6'-ジメチルアセトアニリドモノエチルグリシンキシリジド2-(エチルアミノ)-2',6'-アセトキシリジド2-(エチルアミノ)-N-(2,6-ジメチルフェニル)アセトアミドN-(2,6-ジメチルフェニル)-2-(エチルアミノ)アセトアミドN-エチルグリシンキシリジドノルリドカイン2-(エチルアミノ)-2′,6′-ジメチルアセトアニリドモノエチルグリシンキリジド2-(エチルアミノ)-2′,6′-アセトキシリジドMGEXLidocaine-006Lidocaine Impurity 9Norlidocaine solution

CHEBI:222828RefChem:159573DTXCID40150497N-(2,6-Dimethylphenyl)-2-(ethylamino)acetamideLidocaine EP Impurity DL 86L-86L 86;Norlidocaine

データベース識別子

CAS: 7728-40-7
PubChem CID: 24415
DTXSID: DTXSID60228006
ChEMBL: CHEMBL1028
ChEBI: CHEBI:222828
UNII: D8Q99HC770
EC Number: 694-788-9
Nikkaji: J55.345J

物性

構造計算による物性

XLogP: 1.3
極性表面積: 41.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 15
形式電荷: 0
複雑度: 196

実験および物理化学的性質

DrugsPharmaceuticals -> Metabolite of Lidocaine

Solubility25.2 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 242 · 242-245°C
沸点: 335.6 · 335.6±30.0℃ (760 Torr)
比重(密度): 1.047 · 1.047±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 127.8 · 127.8±24.7℃
貯蔵温度: 2 · 2-8°C
溶解性: 2 O: · H2O: 可溶10mg/mL、透明
酸解離定数(Pka): 8.04 · pKa 8.04(H2O,t =25±0.2,I=0.01(NaCl)) (Uncertain)
外見: 粉
色: 白からベージュ
水溶解度: 2 O: · H2O: 10mg/mL, clear
主な用途: 医薬品
InChI: 1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)
InChIKey: WRMRXPASUROZGT-UHFFFAOYSA-N
SMILES: CC1=C(NC(CNCC)=O)C(C)=CC=C1

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全データ

wgk: 3
rtecs: AN7740000
ridadr: UN 2811 6.1 / PGIII
risk_code: 22
hazard_code: Xn
safety_code: 45
Hazard Classifications: Acute Tox. 3 Oral
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

Metabolism/MetabolitesMonoethylglycinexylidide has known human metabolites that include 3-Hydroxymonoethyl glycinexylidide and Glycinexylidide.

Tissue LocationsKidney

Cellular LocationsCytoplasm

Metabolite PathwaysLidocaine (Antiarrhythmic) Action Pathway

用途と製造

Use ClassificationPharmaceuticals -> Transformation products

応用分野

使用A metabolite of Lidocaine (L397800).

サプライヤー50 社

上海策嵘生物科技有限公司[email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

南京望知星医药科技有限公司18569809817 · [email protected]

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

補足説明

定義ChEBI: Amino acid amide formed from 2,6-dimethylaniline and N-ethylglycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function.