Desethyl Amiodarone RhodamineB-dPEG(4) Amide

Analyte Name

Desethyl Amiodarone RhodamineB-dPEG(4) Amide

Molecular Formula

C65 H82 I2 N4 O14 S2

Molecular Weight

1461.30392

Accurate Mass

1460.3358

SMILES

CCCN(CCC)C1=CC=C(C(C2=CC(S(NCCOCCOCCOCCOCCC(N(CC)CCOC(C(I)=C3)=C(I)C=C3C(C4=C(CCCC)OC5=C4C=CC=C5)=O)=O)(=O)=O)=CC=C2[S-](=O)(=O)=O)=C(C=CC(N(CCC)CCC)=C6)C6=[O+]7)C7=C1

InChI

InChI=1S/C65H82I2N4O14S2/c1-7-13-17-57-63(50-16-14-15-18-56(50)84-57)64(73)46-41-54(66)65(55(67)42-46)83-34-31-69(12-6)61(72)25-32-79-35-37-81-39-40-82-38-36-80-33-26-68-86(74,75)49-21-24-60(87(76,77)78)53(45-49)62-51-22-19-47(70(27-8-2)28-9-3)43-58(51)85-59-44-48(20-23-52(59)62)71(29-10-4)30-11-5/h14-16,18-24,41-45,68H,7-13,17,25-40H2,1-6H3

IUPAC

3-[2-[2-[2-[2-[[3-[3,6-bis(dipropylamino)xanthen-10-ium-9-yl]-4-sulfonato-phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl]-N-ethyl-propanamide

Country of Origin

CANADA

Product Format

Neat