5-Acetamido-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

CAS Registry Number®

31127-80-7

CAS Name

5-Acetamido-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

Molecular Formula

C16H20I3N3O7

Molecular Mass

747.06

Cite this Page

5-Acetamido-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31127-80-7 (retrieved 2024-11-21) (CAS RN: 31127-80-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    313-321 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)

InChIKey

InChIKey=BHCBLTRDEYPMFZ-UHFFFAOYSA-N

SMILES

C(NCC(CO)O)(=O)C1=C(I)C(C(NCC(CO)O)=O)=C(I)C(NC(C)=O)=C1I

Canonical SMILES

O=C(NCC(O)CO)C1=C(I)C(NC(=O)C)=C(I)C(C(=O)NCC(O)CO)=C1I

Other Names for this Substance

  • 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • Isophthalamide, 5-acetamido-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 1,3-Benzenedicarboxamide, 5-(acetylamino)-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 5-(Acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
  • 5-Acetylamino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration