Efonidipine, (+)-
기본 정보
- CAS
128194-12-7- 표준 SMILES
CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1- InChIKey
NSVFSAJIGAJDMR-HKBQPEDESA-N- 분자식
- C34H38N3O7P
- 평균 분자량
- 631.7 g/mol
- 단동위원소 질량
- 631.24473756
개요
(S)-efonidipine is a 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate that has (S)-configuration. It is a blocker of L- and T-type Ca2+ channels. It has a role as a calcium channel blocker. It is an enantiomer of a (R)-efonidipine.
이름 및 식별자
- 우선 이름
- Efonidipine, (+)-
- IUPAC
- 2-(N-benzylanilino)ethyl (4S)-5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
- 영어명
- 3-Pyridinecarboxylic acid, 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester, (4S)-
- 분자식
- C34H38N3O7P
- 분자량
- 631.66
이름 및 동의어
Efonidipine, (+)-(S)-(+)-EfonidipineUNII-SU36WA6VVXEfonidipine (S)-form [MI]128194-12-7SU36WA6VVX(S)-efonidipine3-Pyridinecarboxylic acid, 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(phenyl(phenylmethyl)amino)ethyl ester, (4S)-S(+)-Efonidipine(+)-efonidipine(+)-(S)-efonidipineEFONIDIPINE, (S)-
이름 더 보기
Efonidipine Impurity 23-Pyridinecarboxylic acid, 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester, (4S)-
SCHEMBL49638DTXSID50155837CHEBI:146220PD132765Q272893982-(N-benzylanilino)ethyl (4S)-5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate2-[benzyl(phenyl)amino]ethyl (4S)-5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate2-[Benzyl(phenyl)amino]ethyl (4S)-5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,170
물리화학적 성질
- 끓는 점
- 746.9 · 746.9±60.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.03 · 4.03±0.50(Predicted)
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