Deferoxamine
C25H48N6O8
70-51-9 Copyright (C) 2024 ACS
 39 38  0  0  0  0  0  0  0  0999 V2000
   16.0045    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0068    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3405    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6742    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0078    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6742    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.3416    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6753    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.0090    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.6753    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3428    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0090    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6765    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0101    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3438    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6776    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0113    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <cas.rn>
70-51-9

> <cas.index.name>
Butanediamide, N4-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N1-(5-aminopentyl)-N1-hydroxy-

> <molecular.formula>
C25H48N6O8

> <molecular.weight>
560.69

> <melting.point.experimental>
140 °C

> <density.predicted>
1.213±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.079±0.50    Most Acidic Temp: 25 °C

$$$$
