기본 정보
- CAS
133229-23-9- 표준 SMILES
CN(CCc1ccc(Cl)c(Cl)c1)CC(O)COc1ccc(NS(C)(=O)=O)cc1- InChIKey
BQBSHJUQVIWEFM-UHFFFAOYSA-N- 분자식
- C19H24Cl2N2O4S
- 평균 분자량
- 447.4 g/mol
- 단동위원소 질량
- 446.0833838
개요
N-[4-[3-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide is a sulfonamide.
이름 및 식별자
- 우선 이름
- 1-(4-methanesulfonamidophenoxy)-3-(N-methyl-3,4-dichlorophenylethylamino)-2-propanol
- IUPAC
- N-[4-[3-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
- 영어명
- 1-(4-methanesulfonamidophenoxy)-3-(N-methyl-3,4-dichlorophenylethylamino)-2-propanol
- 분자식
- C19H24Cl2N2O4S
- 분자량
- 447.38
이름 및 동의어
133229-23-9Msaph-2ClPhEA-2-propanol1-(4-Methanesulfonamidophenoxy)-3-(N-methyl-3,4-dichlorophenylethylamino)-2-propanolRV6721I4H5N-(4-(3-((2-(3,4-Dichlorophenyl)ethyl)methylamino)-2-hydroxypropoxy)phenyl)methanesulfonamideMethanesulfonamide, N-(4-(3-((2-(3,4-dichlorophenyl)ethyl)methylamino)-2-hydroxypropoxy)phenyl)-RefChem:74510N-(4-(3-((3,4-dichlorophenethyl)(methyl)amino)-2-hydroxypropoxy)phenyl)methanesulfonamideBio2_000288N-[4-[3-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamideCBiol_001738BSPBio_001568
이름 더 보기
Methanesulfonamide, N-[4-[3-[[2-(3,4-dichlorophenyl)ethyl]methylamino]-2-hydroxypropoxy]phenyl]-N-[4-(3-{[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-amino}-2-hydroxy-propoxy)-phenyl]-methanesulfonamide
KBioGR_000288KBioSS_000288CHEMBL43527UNII-RV6721I4H5SCHEMBL9655059SCHEMBL29625252CHEBI:91532KBio2_000288
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 87.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 553
물리화학적 성질
- 끓는 점
- 602.9 · 602.9±65.0 °C(Predicted)
- 밀도
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.81 · 8.81±0.10(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationA class of drugs that act by inhibition of potassium efflux through cell membranes. Blockade of potassium channels prolongs the duration of ACTION POTENTIALS. They are used as ANTI-ARRHYTHMIA AGENTS and VASODILATOR AGENTS.
공급사1 곳
PRINCETON[email protected]
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