(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}
Grundinformationen
- CAS
1193104-79-8- Standard-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- Summenformel
- C54H74N2O12+2
- Durchschnittliche Molmasse
- 943,2 g/mol
- Monoisotopische Masse
- 942,5241758
Namen und Bezeichner
- Bevorzugter Name
- (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
- Englischer Name
- 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)-
- Summenformel
- C54H74N2O12+2
- Molmasse
- 943.17156
Namen und Synonyme
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]propanoate2,2'-[(3-methylpentane-1,5-diyl)bis[oxy(3-oxopropane-3,1-diyl)]]bis[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]AtracuriumImpurity50Diiodide
Weitere Namen anzeigen
Cisatracurium Besilate Impurity 29Atracurium Impurity 9 DiTrifluoroacetic acid[5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy...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)-[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
Datenbank-Bezeichner
- CAS
1193104-79-8- PubChem CID
- 56605136
- DTXSID
DTXSID80717942- UNII
- 5PCJ35S55Z
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8,3
- Polarare Oberfläche (TPSA)
- 126 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 26
- Schwere Atome
- 68
- Formalladung
- 2
- Komplexität
- 1.420
Chemie und Industrie
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