(1R,2S,1’S,2’S)-Cisatracurium Dibesylate

Analyte Name

(1R,2S,1'S,2'S)-Cisatracurium Dibesylate

Molecular Formula

C53H72N2O12.2C6H5O3S

Molecular Weight

1243.48

Accurate Mass

1242.51

SMILES

O=C(OCCCCCOC(CC[N@@+]1(C)[C@H](CC2=CC(OC)=C(OC)C=C2)C3=C(C=C(OC)C(OC)=C3)CC1)=O)CC[N@+]4(C)CCC5=CC(OC)=C(OC)C=C5[C@@H]4CC6=CC=C(OC)C(OC)=C6.[O-]S(C7=CC=CC=C7)(=O)=O.[O-]S(C8=CC=CC=C8)(=O)=O

InChI

InChI=1S/C53H72N2O12.2C6H6O3S/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;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43+,54?,55?;;

IUPAC

(1S,2S)-1-(3,4-dimethoxybenzyl)-2-(3-((5-((3-((1R,2S)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl)oxy)pentyl)oxy)-3-oxopropyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium di benzene sulphonate

Alternate CAS Number

96946-47-3

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat