기본 정보
- CAS
797013-83-3- 표준 SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C)CC2)C1c1cccc([N+](=O)[O-])c1- InChIKey
TXNDFIQIRIYIEG-UHFFFAOYSA-N- 분자식
- C24H32N4O6
- 평균 분자량
- 472.5 g/mol
이름 및 식별자
- 우선 이름
- 3-O-ethyl 5-O-[2-(4-methylpiperazin-1-yl)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- 3-O-ethyl 5-O-[2-(4-methylpiperazin-1-yl)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Ethyl 5-[2-(4-methyl-1-piperazinyl)ethyl] Ester
- 분자식
- C24H32N4O6
- 분자량
- 472.53
이름 및 동의어
797013-83-31,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Ethyl 5-[2-(4-methyl-1-piperazinyl)ethyl] Ester3-Ethyl 5-(2-(4-methylpiperazin-1-yl)ethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate3-O-ethyl 5-O-[2-(4-methylpiperazin-1-yl)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateManidipine Impurity 15AQ-405/423002223-ethyl 5-[2-(4-methyl-1-piperazinyl)ethyl] 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-ethyl 5-[2-(4-methyl-1-piperazinyl)ethyl] ester
데이터베이스 식별자
- CAS
797013-83-3
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 841
물리화학적 성질
- 끓는 점
- 609.1 · 609.1±55.0 °C(Predicted)
- 밀도
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.54 · 7.54±0.10(Predicted)
화학 및 산업
응용 분야
용도1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Ethyl 5-[2-(4-methyl-1-piperazinyl)ethyl] Ester is an analogue of the drug Manidipine Dihydrochloride (M164015). Manidipine Dihydrochloride is a metabolite of Manidipine (M16400), a dihydropyridine calcium channel blocker that exhibits antihypertensive properties.
공급사4 곳
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