Analytenname

Atracurium Dibenzoate

Molekularformel

C56 H76 N2 O14 . 2[C7 H6 O2]

Molekulargewicht

1243.45

SMILES

O=C(OCCC(OCCCCCOC(CC[N+]1(C)C(CC2=CC=C(OC)C(OC)=C2)C3=C(C=C(OC)C(OC)=C3)CC1)=O)=O)CC[N+]4(C)C(CC5=CC=C(OC)C(OC)=C5)C6=C(C=C(OC)C(OC)=C6)CC4.O=C(C7=CC=CC=C7)[O-].O=C(C8=CC=CC=C8)[O-]

InChI

InChI=1S/C56H76N2O14.2C7H6O2/c1-57(23-18-40-34-50(66-7)52(68-9)36-42(40)44(57)30-38-14-16-46(62-3)48(32-38)64-5)25-20-54(59)70-27-12-11-13-28-71-56(61)22-29-72-55(60)21-26-58(2)24-19-41-35-51(67-8)53(69-10)37-43(41)45(58)31-39-15-17-47(63-4)49(33-39)65-6;2*8-7(9)6-4-2-1-3-5-6/h14-17,32-37,44-45H,11-13,18-31H2,1-10H3;2*1-5H,(H,8,9)/q+2;;/p-2

IUPAC

5-[3-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate;dibenzoate

Abweichende CAS-Nummer

64228-79-1

Herkunftsland

CANADA

Produkttyp

Native/Parent

Produktformat

Neat