기본 정보
- CAS
119413-55-7- 표준 SMILES
CC1=C(C(=O)OCCN(C)Cc2ccc(F)cc2)C(c2cccc3c2OCO3)C(C(=O)OC(C)C)=C(C)N1- InChIKey
ZGRIPYHIFXGCHR-UHFFFAOYSA-N- 분자식
- C29H33FN2O6
- 평균 분자량
- 524.6 g/mol
- 단동위원소 질량
- 524.23226494
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Elgodipine
- IUPAC
- 3-O-[2-[(4-fluorophenyl)methyl-methylamino]ethyl] 5-O-propan-2-yl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- 현지명
- 엘고디핀
- 영어명
- Elgodipine
- 분자식
- C29H33FN2O6
- 분자량
- 524.58
이름 및 동의어
Elgodipine119413-55-7ElgodipinoElgodipinum3JI11Z5REF3,5-Pyridinedicarboxylic acid, 4-(1,3-benzodioxol-4-yl)-1,4-dihydro-2,6-dimethyl-, 2-(((4-fluorophenyl)methyl)methylamino)ethyl 1-methylethyl ester, (+-)-RefChem:136499isopropyl (2-(N-methyl-N-(4-fluorobenzyl)amine)ethyl-2,6-dimethyl-4-(2',3'-methylenedioxyphenyl)-1,5-dihydropyridine-3,5-dicarboxylate)Elgodipine [INN]3-O-[2-[(4-fluorophenyl)methyl-methylamino]ethyl] 5-O-propan-2-yl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateElgodipinum [INN-Latin]Elgodipino [INN-Spanish]
이름 더 보기
엘고디핀2,6-Dimethyl-4-(2,3-methylenebisoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-[methyl(4-fluorobenzyl)amino]ethyl] ester4-(1,3-Benzodioxol-4-yl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid 3-[2-[[(4-fluorophenyl)methyl]methylamino]ethyl]5-isopropyl ester3,5-Pyridinedicarboxylic acid, 4-(1,3-benzodioxol-4-yl)-1,4-dihydro-2,6-dimethyl-, 3-[2-[[(4-fluorophenyl)methyl]methylamino]ethyl] 5-(1-methylethyl) ester
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 86.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 926
화학 및 산업
공급사5 곳
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