Analytenname

(R,R)-N,N'-Didemethyl Atracurium Oxalate

CAS-Nummer

96687-52-4

Molekularformel

C52H68N2O11 • C2H2O4

Molekulargewicht

987.13

Genaue Masse

986.48

SMILES

O=C(CCN1CCC2=CC(OC)=C(C=C2[C@H]1CC3=CC=C(C(OC)=C3)OC)OC)OCCCCCCC(CCN4CCC5=CC(OC)=C(C=C5[C@H]4CC6=CC=C(C(OC)=C6)OC)OC)=O.OC(C(O)=O)=O

InChI

InChI=1S/C52H68N2O11.C2H2O4/c1-57-44-16-14-35(29-46(44)59-3)27-42-40-33-50(63-7)48(61-5)31-37(40)18-22-53(42)24-20-39(55)13-11-9-10-12-26-65-52(56)21-25-54-23-19-38-32-49(62-6)51(64-8)34-41(38)43(54)28-36-15-17-45(58-2)47(30-36)60-4;3-1(4)2(5)6/h14-17,29-34,42-43H,9-13,18-28H2,1-8H3;(H,3,4)(H,5,6)/t42-,43-;/m1./s1

IUPAC

9-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-7-oxononyl 3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate oxalate

Abweichende CAS-Nummer

Free Base: 64228-84-8

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Impurity

Produktformat

Neat