Analyte Name

7-Methyl Atracurium Dimesylate (Mixture of Diastereomers)

CAS Number

64229-01-2

Molecular Formula

C54H74N2O12 . 2(CH3O3S)

Molecular Weight

1133.37

Accurate Mass

1132.48

SMILES

O=C(OCCC(C)CCOC(CC[N+]1(C)C(CC2=CC(OC)=C(OC)C=C2)C(C=C(OC)C(OC)=C3)=C3CC1)=O)CC[N+]4(C)C(CC5=CC=C(OC)C(OC)=C5)C6=CC(OC)=C(OC)C=C6CC4.CS(=O)([O-])=O.CS(=O)([O-])=O

InChI

InChI=1S/C54H74N2O12.2CH4O3S/c1-36(20-26-67-53(57)18-24-55(2)22-16-39-32-49(63-8)51(65-10)34-41(39)43(55)28-37-12-14-45(59-4)47(30-37)61-6)21-27-68-54(58)19-25-56(3)23-17-40-33-50(64-9)52(66-11)35-42(40)44(56)29-38-13-15-46(60-5)48(31-38)62-7;2*1-5(2,3)4/h12-15,30-36,43-44H,16-29H2,1-11H3;2*1H3,(H,2,3,4)/q+2;;/p-2

IUPAC

2,2'-(((3-methylpentane-1,5-diyl)bis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) methanesulfonate

Alternate CAS Number

Free Base: 64229-00-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Additive

Product Format

Neat