기본 정보
- CAS
130636-43-0- 표준 SMILES
Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O- InChIKey
OEBPANQZQGQPHF-UHFFFAOYSA-N- 분자식
- C19H27N5O5
- 평균 분자량
- 405.4 g/mol
- 단동위원소 질량
- 405.20121898
개요
Nifekalant is an amine.
이름 및 식별자
- 우선 이름
- Nifekalant
- IUPAC
- 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
- 현지명
- 니페칼란트
- 영어명
- Nifekalant
- 분자식
- C19H27N5O5
- 분자량
- 405.45
이름 및 동의어
nifekalant130636-43-05VZ7GZM43EDTXSID70483746-((2-((2-Hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyluracilnifekalantumRefChem:165783DTXCID3028348Nifekalant [INN]6-((2-((2-Hydroxyethyl)(3-(4-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dioneCHEMBL3608616-((2-((2-hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyl-uracil
이름 더 보기
니페칼란트NIFEKALANT HCLNifekalant USP/EP/BPOEBPANQZQGQPHF-UHFFFAOYSA-N1-(3,4-dichlorophenyl)-3-hexylurea6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylami...6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinoneNIFEKALANT [6-((2-((2-HYDROXYETHYL)(3-(P-NITROPHENYL)PROPYL)AMINO)ETHYL)AMINO)-1,3-DIMETHYL-URACIL]
6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dioneNIFEKALANT HYDROCHLORIDE [JAN]NCGC00164637-01UNII-5VZ7GZM43E6-[(2-{(2-Hydroxyethyl)[3-(4-nitrophenyl)propyl]amino}ethyl)amino]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dioneNIFEKALANT [MI]NIFEKALANT [WHO-DD]
데이터베이스 식별자
- CAS
130636-43-0- PubChem CID
- 4486
- DTXSID
DTXSID7048374- ChEMBL
CHEMBL360861- ChEBI
CHEBI:94575- UNII
- 5VZ7GZM43E
- Nikkaji
- J473.765B
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 613
물리화학적 성질
- 녹는점
- 117.5 · 117.5-118.5°; mp 125-126° (Katakami, 1992)
- 끓는 점
- 597.9 · 597.9±60.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.74 · 14.74±0.10(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
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