(1R,1’R, 2’S)-2-Desmethyl Cisatracurium Besylate

Analyte Name

N-Desmethyl Atracurium Besylate

CAS Number

2024603-92-5

Molecular Formula

C52 H69 N2 O12 . C6 H5 O3 S

Molecular Weight

1071.278

Accurate Mass

1070.481

SMILES

COc1ccc(C[C@H]2N(CCC(=O)OCCCCCOC(=O)CC[N@+]3(C)CCc4cc(OC)c(OC)cc4[C@H]3Cc5ccc(OC)c(OC)c5)CCc6cc(OC)c(OC)cc26)cc1OC.[O-]S(=O)(=O)c7ccccc7

InChI

InChI=1S/C52H69N2O12.C6H6O3S/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;7-10(8,9)6-4-2-1-3

IUPAC

benzenesulfonate;5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat