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Substance Name: Compound 2-5410-4A
RN: 92339-08-7
InChIKey: XRSOBLNKWMHJOB-UHFFFAOYSA-N

Note

  • A non-ionic dimeric ratio 6 contrast medium used in urography; analog of iodixanol.

Molecular Formula

  • C36-H46-I6-N6-O16

Molecular Weight

  • 1580.1854
 
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Names and Synonyms

Name of Substance

  • Compound 2-5410-4A

Systematic Name

  • 1,3-Benzenedicarboxamide, 5,5'-((2,3-dihydroxy-1,4-butanediyl)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 92339-08-7

System Generated Number

  • 0092339087

Structure Descriptors

InChI

1S/C36H46I6N6O16/c1-13(53)47(31-27(39)21(33(61)43-3-15(55)9-49)25(37)22(28(31)40)34(62)44-4-16(56)10-50)7-19(59)20(60)8-48(14(2)54)32-29(41)23(35(63)45-5-17(57)11-51)26(38)24(30(32)42)36(64)46-6-18(58)12-52/h15-20,49-52,55-60H,3-12H2,1-2H3,(H,43,61)(H,44,62)(H,45,63)(H,46,64)

InChIKey

XRSOBLNKWMHJOB-UHFFFAOYSA-N

Smiles

CC(=O)N(CC(O)C(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I