Analyte Name

Iodixanol Mono Lohexol Ether

Molecular Formula

C54H68I9N9O23

Molecular Weight

2353.3

Accurate Mass

2352.58

SMILES

OCC(CNC(C1=C(C(N(CC(CN(C2=C(C(C(NCC(COCC(O)CN(C(C)=O)C3=C(C(C(NCC(CO)O)=O)=C(C(C(NCC(O)CO)=O)=C3I)I)I)O)=O)=C(C(C(NCC(CO)O)=O)=C2I)I)I)C(C)=O)O)C(C)=O)=C(C(C(NCC(CO)O)=O)=C1I)I)I)=O)O

InChI

InChI=1S/C54H68I9N9O23/c1-20(78)70(46-40(58)31(49(89)64-4-23(81)13-73)37(55)32(41(46)59)50(90)65-5-24(82)14-74)10-29(87)11-71(21(2)79)47-42(60)33(51(91)66-6-25(83)15-75)39(57)36(43(47)61)54(94)69-9-28(86)18-95-19-30(88)12-72(22(3)80)48-44(62)34(52(92)67-7-26(84)16-76)38(56)35(45(48)63)53(93)68-8-27(85)17-77/h23-30,73-77,81-88H,4-19H2,1-3H3,(H,64,89)(H,65,90)(H,66,91)(H,67,92)(H,68,93)(H,69,94)

IUPAC

N1-(3-(3-(N-(3,5-bis((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodophenyl)acetamido)-2-hydroxypropoxy)-2-hydroxypropyl)-5-(N-(3-(N-(3,5-bis((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodophenyl)acetamido)-2-hydroxypropyl)acetamido)-N3-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat