Chemical Name: (1R,2S)-1-(3,4-Dimethoxybenzyl)-2-(3-((5-((3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoyl)oxy)pentyl)oxy)-3-oxopropyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium 2,2,2-trifluoroacetate
Synonym: N-Desmethyl-transatracurium Besylate
Smiles: COC1=CC([C@@H](CC(C=C2)=CC(OC)=C2OC)N(CCC(OCCCCCOC(CC[N@@+](CC3)(C)[C@H](CC(C=C4)=CC(OC)=C4OC)C(C=C5OC)=C3C=C5OC)=O)=O)CC6)=C6C=C1OC.[O-]C(C(F)(F)F)=O
Inchi: InChI=1S/C53H72N2O12.2ClH/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;;/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1H/q+2;;/p-2/t42-,43-,54-,55+;;/m1../s1
Determination of atracurium, cisatracurium and mivacurium with their impurities in pharmaceutical preparations by liquid chromatography with charged aerosol detection
Agata Błazewicz, Zbigniew Fijałeka,b, Małgorzata Warowna-Grzeskiewicz ,Magdalena Jadach
Journal of Chromatography A, 1217 (2010) 1266–1272
Directly Coupled Chiral HPLC-NMR and HPLC-CD Spectroscopy as Complementary Methods for Structural and Enantiomeric Isomer Identification: Application to Atracurium Besylate
Nisha Mistry,Andrew D. Roberts, George E. Tranter,Peter Francis, Ian Barylski, Ismail M. Ismail,§ Jeremy K. Nicholson,| and John C. Lindon
Anal. Chem. 1999, 71, 2838-2843