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Substance Name: Iofratol [INN]
RN: 141660-63-1
UNII: 016B407G6F
InChIKey: NNZBBKHCMKTQJQ-UWVGGRQHSA-N

Molecular Formula

  • C31-H36-I6-N6-O13

Molecular Weight

  • 1462.0544
 
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Names and Synonyms

Name of Substance

  • Iofratol
  • Iofratol [INN]

Synonyms

  • Iofratol
  • N,N'-(2-Hydroxytrimethylene)bis(N'-(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-((S)-lactamido)isophthalamide)
  • UNII-016B407G6F

Systematic Name

  • N,N''-(2-Hydroxytrimethylene)bis(N'-(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-((S)-lactamido)isophthalamide)

Registry Numbers

CAS Registry Number

  • 141660-63-1

FDA UNII

  • 016B407G6F

System Generated Number

  • 0141660631

Structure Descriptors

InChI

1S/C31H36I6N6O13/c1-9(48)26(51)42-24-20(34)14(18(32)16(22(24)36)30(55)40-11(5-44)6-45)28(53)38-3-13(50)4-39-29(54)15-19(33)17(31(56)41-12(7-46)8-47)23(37)25(21(15)35)43-27(52)10(2)49/h9-13,44-50H,3-8H2,1-2H3,(H,38,53)(H,39,54)(H,40,55)(H,41,56)(H,42,51)(H,43,52)/t9-,10-/m0/s1

InChIKey

NNZBBKHCMKTQJQ-UWVGGRQHSA-N

Smiles

C[C@H](O)C(=O)Nc1c(I)c(C(=O)NCC(O)CNC(=O)c2c(I)c(NC(=O)[C@H](C)O)c(I)c(C(=O)NC(CO)CO)c2I)c(I)c(C(=O)NC(CO)CO)c1I