2-Chloroethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
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기본 정보
- CAS
54527-89-8- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCl)C1c1cccc([N+](=O)[O-])c1- InChIKey
HFLGCPOPFWAWDG-UHFFFAOYSA-N- 분자식
- C18H19ClN2O6
- 평균 분자량
- 394.8 g/mol
- 단동위원소 질량
- 394.093164
이름 및 식별자
- 우선 이름
- 2-Chloroethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
- IUPAC
- 5-O-(2-chloroethyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- 2-chloroethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
- 분자식
- C18H19ClN2O6
- 분자량
- 394.81
이름 및 동의어
54527-89-82-Chloroethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylateEINECS 259-200-33-(2-CHLOROETHYL) 5-METHYL 2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE3-(2-Chloroethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylateBenidipine Impurity 6999S2ML5XM7SCHEMBL3435101DTXSID80969747DB-240107NS00056581H40303
이름 더 보기
NTD-1Nicardipine Impurity 591,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-(2-chloroethyl)5-methyl ester3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-chloroethyl) 5-methyl ester
3-(2-chloroethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-2-chloroethyl methyl 1,4-dihydro2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate2-Chloroethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylatechloroethyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylatemethyl 2-chloroethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate2,6-dimethyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-beta-chloroethyl ester 5-methyl ester2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid methyl ester 2-chloroethyl ester3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-chloroethyl methyl ester
데이터베이스 식별자
- CAS
54527-89-8- PubChem CID
- 3016888
- DTXSID
DTXSID80969747- ChEMBL
CHEMBL1097657- UNII
- 99S2ML5XM7
- EC Number
- 259-200-3
- Nikkaji
- J266.904H
물성
구조 계산 물성보충 중
- XLogP
- 3.1
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 682
관련 반응
14건
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