Analyte Name

rac Mivacurium Chloride-13C4

Molecular Formula

13C4 C54 H80 N2 O14

Molecular Weight

1033.231

Accurate Mass

1032.573

SMILES

[13CH3][N@@+]1(CCCO[13C](=O)CC\C=C\CC[13C](=O)OCCC[N@+]2([13CH3])CCc3cc(OC)c(OC)cc3[C@H]2Cc4cc(OC)c(OC)c(OC)c4)CCc5cc(OC)c(OC)cc5[C@H]1Cc6cc(OC)c(OC)c(OC)c6

InChI

InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59-,60-/m1/s1/i1+1,2+1,55+1,56+1

IUPAC

bis[3-[(1R,2S)-6,7-dimethoxy-2-(113C)methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-(1,8-13C2)oct-4-enedioate

Unlabelled CAS Number

106861-44-3

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat