기본 정보
- CAS
128194-13-8- 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-WJOKGBTCSA-N- 분자식
- C34H38N3O7P
- 평균 분자량
- 631.7 g/mol
- 단동위원소 질량
- 631.24473756
개요
(R)-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 (R)-configuration. It is a selective blocker of T-type Ca2+ channels. It has a role as a calcium channel blocker. It is an enantiomer of a (S)-efonidipine.
이름 및 식별자
- 우선 이름
- Efonidipine, (-)-
- IUPAC
- 2-(N-benzylanilino)ethyl (4R)-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, (4R)-
- 분자식
- C34H38N3O7P
- 분자량
- 631.66
이름 및 동의어
Efonidipine, (-)-(-)-(R)-efonidipine(R)-(-)-Efonidipine(R)-efonidipineEfonidipine (R)-form [MI]BF2E1WS195128194-13-83-Pyridinecarboxylic acid, 5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(phenyl(phenylmethyl)amino)ethyl ester, p-oxide, (R)-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, (4R)-(-)-efonidipineR(-)-EfonidipineUNII-BF2E1WS195
이름 더 보기
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, (4R)-
NZ-105 free formEFONIDIPINE, (R)-GTPL2519SCHEMBL29410289CHEBI:146219NS00072213Q27078104()-2-[benzyl (phenyl) amino] ethyl 1,4-dihydro-2,6- dimethyl-5-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-3-pyridinecarboxylate hydrochloride ethano
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
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
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)
화학 및 산업
공급사1 곳
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
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