Bunamiodyl

CAS Registry Number®

1233-53-0

CAS Name

Bunamiodyl

Molecular Formula

C15H16I3NO3

Molecular Mass

639.01

Cite this Page

Bunamiodyl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1233-53-0 (retrieved 2024-12-02) (CAS RN: 1233-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105-120 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H16I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h6-7H,3-5H2,1-2H3,(H,19,20)(H,21,22)

InChIKey

InChIKey=CWRBDUIQDIHWJZ-UHFFFAOYSA-N

SMILES

C(=C(C(O)=O)CC)C1=C(I)C(NC(CCC)=O)=C(I)C=C1I

Canonical SMILES

O=C(O)C(=CC1=C(I)C=C(I)C(NC(=O)CCC)=C1I)CC

Other Names for this Substance

  • Butanoic acid, 2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-
  • Cinnamic acid, 3-butyramido-α-ethyl-2,4,6-triiodo-
  • 2-[[2,4,6-Triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]butanoic acid
  • α-Ethyl-β-(2,4,6-triiodo-3-butyramidophenyl)acrylic acid
  • 2,4,6-Triiodo-3-butyramido-α-ethylcinnamic acid

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