Iofratol

CAS Registry Number®

141660-63-1

CAS Name

Iofratol

Molecular Formula

C31H36I6N6O13

Molecular Mass

1462.08

Cite this Page

Iofratol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=141660-63-1 (retrieved 2024-11-22) (CAS RN: 141660-63-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=NNZBBKHCMKTQJQ-UWVGGRQHSA-N

SMILES

C(NC(CO)CO)(=O)C1=C(I)C(C(NCC(CNC(=O)C2=C(I)C(C(NC(CO)CO)=O)=C(I)C(NC([C@H](C)O)=O)=C2I)O)=O)=C(I)C(NC([C@H](C)O)=O)=C1I

Canonical SMILES

O=C(NCC(O)CNC(=O)C1=C(I)C(NC(=O)C(O)C)=C(I)C(C(=O)NC(CO)CO)=C1I)C2=C(I)C(NC(=O)C(O)C)=C(I)C(C(=O)NC(CO)CO)=C2I

Other Names for this Substance

  • 1,3-Benzenedicarboxamide, N1,N1′-(2-hydroxy-1,3-propanediyl)bis[N3-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxy-1-oxopropyl]amino]-2,4,6-triiodo-
  • 1,3-Benzenedicarboxamide, N,N′′-(2-hydroxy-1,3-propanediyl)bis[N′-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodo-, [S-(R*,R*)]-
  • 1,3-Benzenedicarboxamide, N,N′′-(2-hydroxy-1,3-propanediyl)bis[N′-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxy-1-oxopropyl]amino]-2,4,6-triiodo-
  • N1,N1′-(2-Hydroxy-1,3-propanediyl)bis[N3-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxy-1-oxopropyl]amino]-2,4,6-triiodo-1,3-benzenedicarboxamide
  • Iofratol

CAS INSIGHTSTM
Targeted protein degrader structure, illustration