Analyte Name

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

CAS Number

64228-84-8

Molecular Formula

C51 H66 N2 O12

Molecular Weight

899.076

Accurate Mass

898.462

SMILES

COc1ccc(C[C@H]2N(CCC(=O)OCCCCCOC(=O)CCN3CCc4cc(OC)c(OC)cc4[C@H]3Cc5ccc(OC)c(OC)c5)CCc6cc(OC)c(OC)cc26)cc1OC

InChI

InChI=1S/C51H66N2O12/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4/h12-15,28-33,40-41H,9-11,16-2

IUPAC

5-[3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-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 Type

Impurity

Product Format

Neat