(Z)-4-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxy]ethylamino]-4-oxobut-2-enoic acid
기본 정보
- CAS
400602-36-0- 표준 SMILES
CCOC(=O)C1=C(COCCNC(=O)/C=C\C(=O)O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl- InChIKey
NCQQYEAGTDFDQX-KTKRTIGZSA-N- 분자식
- C24H27ClN2O8
- 평균 분자량
- 506.9 g/mol
이름 및 식별자
- 우선 이름
- (Z)-4-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxy]ethylamino]-4-oxobut-2-enoic acid
- IUPAC
- (Z)-4-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxy]ethylamino]-4-oxobut-2-enoic acid
- 영어명
- 3,5-Pyridinedicarboxylic acid, 2-[[2-[[(2Z)-3-carboxy-1-oxo-2-propen-1-yl]amino]ethoxy]methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester
- 분자식
- C24H27ClN2O8
- 분자량
- 506.93
이름 및 동의어
SCHEMBL3018811400602-36-0(Z)-4-((2-((4-(2-chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridin-2-yl)methoxy)ethyl)amino)-4-oxobut-2-enoic acidAmlodipine Impurity 90Amlodipine Impurity 10Amlodipine impurities1734Amlodipine Glucose Adduct 1Gadoxetate Disodium Impurity 162-[[2-[[(2Z)-3-carboxy-1-oxo-2-propen-1-yl]amino]ethoxy]methyl]-4-(2-chlorophenyl)-13,5-Pyridinedicarboxylic acid, 2-[[2-[[(2Z)-3-carboxy-1-oxo-2-propen-1-yl]amino]ethoxy]methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester
데이터베이스 식별자
- CAS
400602-36-0
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 911
물리화학적 성질
- 끓는 점
- 696.6 · 696.6±55.0 °C(Predicted)
- 밀도
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.88 · 2.88±0.25(Predicted)
관련 반응
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