1-((1R)-((2R,4R,5S)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)-4-((1R)-((2R,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazine

HCID 51003674

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 140924-50-1
표준 SMILES: CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](Oc1nnc(O[C@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12
InChIKey: YUCBLVFHJWOYDN-PPIALRKJSA-N
분자식: C48H54N6O4
평균 분자량: 779 g/mol
단동위원소 질량: 778.42065421

이름 및 식별자

우선 이름: 1-((1R)-((2R,4R,5S)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)-4-((1R)-((2R,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazine
IUPAC: 4-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-1-[(R)-[(2R,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine
영어명: (DHQ)2PHAL
분자식: C48H54N6O4
분자량: 778.98

이름 및 동의어

AD-mix-alpha1217464-63-5Hydroquinine 1,4-phthalazinediyl diether4-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo [2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-1-[(R)-[(2R,4R,5S)-5-ethyl-1-azabicyclo [2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazineAD-mix alphaC48H54N6O41-((1R)-((2R,4R,5S)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)-4-((1R)-((2R,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazine(DHQ)2-PHALBP-12219(DHQ)2 PHAL(DHQ)2 -PHALSCHEMBL15576388

이름 더 보기

Cinchonan, 9,9-1,4-phthalazinediylbis(oxy)bis10,11-dihydro-6-methoxy-, (8.alpha.,9R)-(8.alpha.,9R)-(DHQ)2PHAL(+)-(DHQ)2PHAL(R,R)-(DHQ)2PHAL(DHQ)2 PHAL, 95+%(DHQ)2PHAL,99%e.e.(DHQ)2PHALTianfu Chem (DHQ)2PHAL

SCHEMBL30396947DTXSID90679582(3alpha)-6'-Methoxy-9-[(4-{[(4beta)-6'-methoxy-10,11-dihydrocinchonan-9-yl]oxy}phthalazin-1-yl)oxy]-10,11-dihydrocinchonan(DHQ)2PHAL, >=95%MFCD00191975AKOS015950622FH293211,4-Bis(9-O-dihydroquinyl)phthalazine

데이터베이스 식별자

CAS: 140924-50-1
PubChem CID: 51003674
DTXSID: DTXSID90679582

물성

구조 계산 물성

XLogP: 8.8
극성 표면적: 95 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 12
무거운 원자 수: 58
형식 전하: 0
복잡도: 1,250

물리화학적 성질

녹는점: 178 °C · 178 °C (dec.)(lit.)
밀도: 1.3 · 1.30±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨, 초음파처리), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.61 · 9.61±0.70(Predicted)
색상: 흰색에서 황백색까지
BRN: 5475677 · 5475677
InChIKey: YUCBLVFHJWOYDN-PPIALRKJSA-N
SMILES: CC[C@@H]1CN2CCC1CC2[C@H](Oc3nnc(O[C@@H](C4CC5CCN4C[C@@H]5CC)c6ccnc7ccc(OC)cc67)c8ccccc38)c9ccnc%10ccc(OC)cc9%10