기본 정보
- CAS
16376-74-2- 표준 SMILES
CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1- InChIKey
UPPMZCXMQRVMME-UHFFFAOYSA-N- 분자식
- C19H32NO2+
- 평균 분자량
- 306.5 g/mol
- 단동위원소 질량
- 306.24330426
개요
Valethamate is an alkylbenzene.
이름 및 식별자
- 우선 이름
- Valethamate
- IUPAC
- diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium
- 현지명
- 암모늄,디에틸(2-히드록시에틸)메틸-,3-메틸-2-페닐발레레이트(에스테르)(8CI)
- 영어명
- Ammonium, diethyl(2-hydroxyethyl)methyl-, 3-methyl-2-phenylvalerate (ester) (8CI)
- 분자식
- C19H32NO2+
- 분자량
- 306.47
이름 및 동의어
Valethamate16376-74-2Valethamate ionValethamate cationD64S64QVX7N,N-Diethyl-N-methyl-2-(3-methyl-2-phenylvaleryloxy)ethylammoniumN,N-Diethyl-N-methyl-2-((3-methyl-1-oxo-2-phenylpentyl)oxy)ethanaminiumEthanaminium, N,N-diethyl-N-methyl-2-((3-methyl-1-oxo-2-phenylpentyl)oxy)-N,N-Diethyl-N-methyl-2-((3-methyl-1-oxo-2-phenylpent yl)oxy)ethanaminiumRefChem:193564diethyl(methyl)(2-((3-methyl-2-phenylpentanoyl)oxy)ethyl)azaniumUNII-D64S64QVX7
이름 더 보기
암모늄,디에틸(2-히드록시에틸)메틸-,3-메틸-2-페닐발레레이트(에스테르)(8CI)3-Methyl-2-phenylvaleric acid methyldiethylammonioethyl esterN,N-Diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]ethanaminiumN-Methyl-N,N-diethyl-N-[2-(1-phenyl-2-methylbutylcarbonyloxy)ethyl]aminiumEthanaminium, N,N-diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]- (9CI)Ammonium, diethyl(2-hydroxyethyl)methyl-, 3-methyl-2-phenylvalerate (ester) (8CI)
EpidosanNCGC00185757-01LetamateVelamateElistRelease Vdiethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azaniumVALETHAMATE [WHO-DD]
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 22
- 형식 전하
- 1
- 복잡도
- 319
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
공급사1 곳
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