기본 정보
- CAS
1193104-79-8- 표준 SMILES
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCC(C)CCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC- InChIKey
IRCARIJAUYKSGC-MJQWJGMHSA-N- 분자식
- C54H74N2O12+2
- 평균 분자량
- 943.2 g/mol
- 단동위원소 질량
- 942.5241758
이름 및 식별자
- 우선 이름
- (1R,2R,1'R,2'R)-2,2'-{(3-Methylpentane-1,5-diyl)bis[oxy(3-oxopropane-3,1-diyl)]}bis{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium}
- IUPAC
- [5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]-3-methylpentyl] 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
- 영어명
- IsoquinoliniuM, 2,2'-[(3-Methyl-1,5-pentanediyl)bis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-diMethoxyphenyl)Methyl]-1,2,3,4-tetrahydro-6,7-diMethoxy-2- Methyl-, (1R,1'R,2R,2'R)-
- 분자식
- C54H74N2O12+2
- 분자량
- 943.17156
이름 및 동의어
1193104-79-8Atracurium Impurity 115PCJ35S55ZDTXSID80717942(1R,2R,1'R,2'R)-2,2'-{(3-Methylpentane-1,5-diyl)bis[oxy(3-oxopropane-3,1-diyl)]}bis{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium}Isoquinolinium, 2,2'-[(3-methyl-1,5-pentanediyl)bis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1R,1'R,2R,2'R)-Cisatracurium Besilate Impurity K [Ep Impurity](1R,1'R,2R,2'R)-2,2'-[(3-Methyl-1,5-pentanediyl)bis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium](1R,1'R,2R,2'R)-2,2'-{(3-Methylpentane-1,5-diyl)bis[oxy(3-oxopropane-3,1-diyl)]}bis{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium}[5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]-3-methylpentyl]3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
물성
구조 계산 물성
- XLogP
- 8.3
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 68
- 형식 전하
- 2
- 복잡도
- 1,420
화학 및 산업
공급사8 곳
济南百隆化学有限公司[email protected] · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海思达医药化工科技有限公司021-58521787 17701827760 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
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