기본 정보
- CAS
81443-73-4- 표준 SMILES
O=C(O)CC/C=C\CC[C@H]1[C@H](N2CCOCC2)C(=O)C[C@H]1OCc1ccc(-c2ccccc2)cc1- InChIKey
IOFUFYLETVNNRF-FKQKSGFWSA-N- 분자식
- C29H35NO5
- 평균 분자량
- 477.6 g/mol
- 단동위원소 질량
- 477.25152322
개요
(1S,2S,5R)-AH23848 is a (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid in which the stereocentres at positions 1, 2 and 5 have S-, S- and R-configuration respectively. It is a conjugate acid of a (1S,2S,5R)-AH23848(1-). It is an enantiomer of a (1R,2R,5S)-AH23848.
이름 및 식별자
- 우선 이름
- rel-(4Z)-7-((1R,2R,5S)-5-((1,1'-Biphenyl)-4-ylmethoxy)-2-(4-morpholinyl)-3-oxocyclopentyl)-4-heptenoic acid
- IUPAC
- (Z)-7-[(1S,2S,5R)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
- 영어명
- AH 23848
- 분자식
- C29H35NO5
- 분자량
- 477.59
이름 및 동의어
81443-73-49NEV21ZEL6DTXSID701109678AH 23848REL-(4Z)-7-((1R,2R,5S)-5-((1,1'-BIPHENYL)-4-YLMETHOXY)-2-(4-MORPHOLINYL)-3-OXOCYCLOPENTYL)-4-HEPTENOIC ACIDRefChem:930624DTXCID8015413104-Heptenoic acid, 7-(5-((1,1'-biphenyl)-4-ylmethoxy)-2-(4-morpholinyl)-3-oxocyclopentyl)-, (1alpha(Z),2beta,5alpha)-(+-)-AH-238487-(5-(((1,1-biphenyl)-4-yl)methoxy)-2-(4-morpholinyl)-3-oxocyclopentyl)-4-heptanoic acid(Z)-7-[(1S,2S,5R)-2-Morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid4-Heptenoic acid, 7-(5-((1,1'-biphenyl)-4-ylmethoxy)-2-(4-morpholinyl)-3-oxocyclopentyl)-, (1-alpha(Z),2-beta,5-alpha)-(+-)-
이름 더 보기
ah23848IOFUFYLETVNNRF-OSAZKUMMSA-NAH23848 hydrate hemicalcium salt(1-alpha(z),2-beta,5-alpha)-(+-)-lopentyl)4-heptenoicacid,7-(5-((1,1’-biphenyl)-4-ylmethoxy)-2-(4-morpholinyl)-3-oxocyc-(+/-)-7-methoxy>-2-(4-morpholinyl)-3-oxocyclopentyl>-4-heptenoic acid4-Heptenoic acid, 7-[(1R,2R,5S)-5-([1,1'-biphenyl]-4-ylMethoxy)-2-(4-Morpholinyl)-3-oxocyclopentyl]-, (4Z)-rel-
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 76.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 689
물리화학적 성질
- 끓는 점
- 657.483 · 657.483±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.215 · 1.215±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- 20 °C · −20°C
- 용해도
- 18 mg/mL，60℃ · DMSO：18mg/mL，60℃
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.603 · 4.603±0.10(predicted)
- 색상
- 회백색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
공급사2 곳
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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