기본 정보
- CAS
441291-70-9- 표준 SMILES
COc1ccc(COCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1OC- InChIKey
WXIVAIPFVFMLTF-UHFFFAOYSA-N- 분자식
- C30H34N2O6
- 평균 분자량
- 518.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[[1-[3-[(3,4-Dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
- IUPAC
- 2-[[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
- 영어명
- 2-[(1-{3-[(3,4-dimethoxybenzyl)oxy]-2-hydroxypropyl}-4-piperidinyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
- 분자식
- C30H34N2O6
- 분자량
- 518.60076
이름 및 동의어
MLS0006996002-[(1-{3-[(3,4-dimethoxybenzyl)oxy]-2-hydroxypropyl}-4-piperidinyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dioneSMR000225222ChemDiv1_005090CHEMBL1624820BDBM78695HMS601H08cid_15945749AKOS001634507AKOS0162873852-[[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dioneAF-399/14387015
이름 더 보기
2-[(1-{3-[(3,4-DIMETHOXYBENZYL)OXY]-2-HYDROXYPROPYL}-4-PIPERIDYL)METHYL]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE2-[(1-{3-[(3,4-dimethoxybenzyl)oxy]-2-hydroxypropyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione2-[[1-(2-hydroxy-3-veratryloxy-propyl)-4-piperidyl]methyl]benzo[de]isoquinoline-1,3-quinone;hydrochloride2-[[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-4-piperidinyl]methyl]benzo[de]isoquinoline-1,3-dione;hydrochloride2-[[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione;hydrochloride2-[[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 88.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 772
화학 및 산업
공급사1 곳
SPECS[email protected]
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