Atracurium Impurity A2 (cis-Monoquatenary) TFA salt

CAT No.

ALN-A021010

CAS No.

Mol. F.

C52H69N2O12 : C2F3O2

Mol. Wt.

914.1 : 113.0

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Product Overview

Chemical Name : (1R,2R)-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

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/C52H69N2O12.C2HF3O2/c1-54(23-19-38-32-48(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)66-26-12-10-11-25-65-51(55)18-22-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;3-2(4,5)1(6)7/h13-16,29-34,41-42H,10-12,17-28H2,1-9H3;(H,6,7)/q+1;/p-1/t41-,42-,54+;/m1./s1

Technical Data

Reference

Agata Bu0142azewicz, Zbigniew Fijau0142eka,b, Mau0142gorzata Warowna-Grzeskiewicz ,Magdalena JadachnJournal of Chromatography A, 1217 (2010) 1266u20131272

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

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