(R,cis)-7-Methyl Atracurium Dibesylate

(R,cis)-7-Methyl Atracurium Dibesylate

• Synonyms: (1R,1'R,2R,2'R)-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) Dibesylate
• CAS Number: 1193104-80-1
• Hazard Statement: Toxic if swallowed; UN number: UN2811; Packing Group: III
• Smiles: O=C(OCCC(C)CCOC(CC[N@+]1(C)[C@H](CC2=CC(OC)=C(OC)C=C2)C(C=C(OC)C(OC)=C3)=C3CC1)=O)CC[N@+]4(C)[C@H](CC5=CC=C(OC)C(OC)=C5)C6=CC(OC)=C(OC)C=C6CC4.O=S(C7=CC=CC=C7)([O-])=O.O=S(C8=CC=CC=C8)([O-])=O
• Molecular Formula: C54H74N2O12 . 2(C6H5O3S)
• Molecular Weight: 1257.51
• InChI: InChI=1S/C54H74N2O12.2C6H6O3S/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*7-10(8,9)6-4-2-1-3-5-6/h12-15,30-36,43-44H,16-29H2,1-11H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t43-,44-,55-,56-;;/m1../s1
• Additionnal Information: IUPAC name: (1R,1'R,2R,2'R)-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) benzenesulfonate
• Shipping Conditions: Room Temperature