Analyte Name

Atracurium Besylate (cis-Quaternary Alcohol)

CAS Number

1100676-16-1

Molecular Formula

C29 H42 N O7 . C6 H5 O3 S

Molecular Weight

673.813

Accurate Mass

673.292

SMILES

COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCO)cc1OC.[O-]S(=O)(=O)c4ccccc4

InChI

InChI=1S/C29H42NO7.C6H6O3S/c1-30(14-12-29(32)37-16-8-6-7-15-31)13-11-22-19-27(35-4)28(36-5)20-23(22)24(30)17-21-9-10-25(33-2)26(18-21)34-3;7-10(8,9)6-4-2-1-3-5-6/h9-10,18-20,24,31H,6-8,11-17H2,1-5H3;1-5H,(H,7,8,9)/q+1;/p-1/t24-,30-;/m1./s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat