기본 정보
- CAS
89267-43-6- 표준 SMILES
CCOC(=O)c1c(C)nc(CO)c(C(=O)O)c1-c1cccc([N+](=O)[O-])c1- InChIKey
URTGKNDSXSLLRZ-UHFFFAOYSA-N- 분자식
- C17H16N2O7
- 평균 분자량
- 360.3 g/mol
- 단동위원소 질량
- 360.09575085
이름 및 식별자
- 우선 이름
- Nitrendipine Impurity D
- IUPAC
- 5-ethoxycarbonyl-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid
- 영어명
- 5-(Ethoxycarbonyl)-2-(hydroxyMethyl-6-Methyl-4-(3-nitrophenyl)nicotinic Acid
- 분자식
- C17H16N2O7
- 분자량
- 360.32
이름 및 동의어
89267-43-6Nitrendipine Impurity D5-(Ethoxycarbonyl)-2-(hydroxyMethyl-6-Methyl-4-(3-nitrophenyl)nicotinic AcidNitrendipine Impurity 25-(Ethoxycarbonyl)-2-(hydroxymethyl-6-methyl-4-(3-nitrophenyl)nicotinic Acid(Nitrendipine Impurity)5-Carboxy-6-Hydroxymethyl-Dehydronitrendipine88B3C46ZBQ5-(Ethoxycarbonyl)-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)nicotinic acid5-Ethyl 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate3,5-Pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl ester5--2-nicotinicAcidCarazolol Impurity 2
이름 더 보기
Nitrendipine Impurity 6URTGKNDSXSLLRZ-UHFFFAOYSA-N5-Carboxy-6-Hydroxymethyl-Dehydro-Nitrendipine Sodium Salt5-(Ethoxycarbonyl)-2-(hydroxyMethyl-6-Methyl-4-(3-nitrophenyl)nicotinic Acid (Nitrendipine IMpurity)5-(Ethoxycarbonyl)-2-(hydroxymethyl-6-methyl-4-(3-nitrophenyl)nicotinic Acid(Nitrendipine Impurity), CAS 89267-43-6
데이터베이스 식별자
- CAS
89267-43-6- PubChem CID
- 54368907
- UNII
- 88B3C46ZBQ
- Nikkaji
- J440.865I
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 536
물리화학적 성질
- 끓는 점
- 534.5 · 534.5±50.0 °C(Predicted)
- 밀도
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.16 · 1.16±0.36(Predicted)
화학 및 산업
응용 분야
용도5-(Ethoxycarbonyl)-2-(hydroxymethyl-6-methyl-4-(3-nitrophenyl)nicotinic Acid is a metabolite of Nitrendipine (N490150).
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