모노에틸글리신자일리다이드

Monoethylglycinexylidide

HCID 24415CAS 7728-40-7

기본 정보

표준 SMILES: CCNCC(=O)Nc1c(C)cccc1C
InChIKey: WRMRXPASUROZGT-UHFFFAOYSA-N
분자식: C12H18N2O
평균 분자량: 206.28 g/mol
단동위원소 질량: 206.1419132

개요

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.

이름 및 식별자

우선 이름: Monoethylglycinexylidide
IUPAC: N-(2,6-dimethylphenyl)-2-(ethylamino)acetamide
현지명: 모노에틸글리신자일리다이드
영어명: Monoethylglycinexylidide
분자식: C12H18N2O
분자량: 206.28

이름 및 동의어

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

이름 더 보기

모노에틸글리신자일리다이드MGEXLidocaine-006Lidocaine Impurity 9Norlidocaine solution

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 196

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Metabolite of Lidocaine

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

물리화학적 성질

녹는점: 242 · 242-245°C
끓는 점: 335.6 · 335.6±30.0℃ (760 Torr)
밀도: 1.047 · 1.047±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 127.8 · 127.8±24.7℃
저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: 가용성10mg/mL, 투명
산도 계수 (pKa): 8.04 · pKa 8.04(H2O,t =25±0.2,I=0.01(NaCl)) (Uncertain)
물리적 상태: 가루
색상: 흰색에서 베이지색
수용성: 2 O: · H2O: 10mg/mL, clear
주요 응용: 제약
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

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

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
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

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

Tissue LocationsKidney

Cellular LocationsCytoplasm

Metabolite PathwaysLidocaine (Antiarrhythmic) Action Pathway

용도 및 제조

Use ClassificationPharmaceuticals -> Transformation products

응용 분야

용도A metabolite of Lidocaine (L397800).

공급사50 곳

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]

추가 설명

정의ChEBI: 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.

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