Gd-DTPA
C14H18GdN3O10.2H
80529-93-7 Copyright (C) 2025 ACS
 29 34  0  0  0  0  0  0  0  0999 V2000
   10.9086    3.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9814   10.2473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012   10.1147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939    1.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    5.4050    0.0000 Gd  0  1  0  0  0  8  0  0  0  0  0  0
    4.8749    2.3125    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    7.5276    6.9524    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    7.5276    3.8599    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   10.1779    5.4050    0.0000 O   0  5  0  0  0  2  0  0  0  0  0  0
    3.3857    8.0554    0.0000 O   0  5  0  0  0  2  0  0  0  0  0  0
    4.8749    8.4975    0.0000 O   0  5  0  0  0  2  0  0  0  0  0  0
    1.8918    5.4050    0.0000 O   0  5  0  0  0  2  0  0  0  0  0  0
    2.2245    3.8599    0.0000 O   0  5  0  0  0  2  0  0  0  0  0  0
    3.5509    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5276    8.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875    8.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8516    6.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8516    3.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8516    4.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5276    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1779    3.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    9.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012    9.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8423    4.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2245    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543    0.0000    0.0000 H   0  3  0  0  0 15  0  0  0  0  0  0
  1 24  2  0  0  0  0
  2 25  2  0  0  0  0
  3 26  2  0  0  0  0
  4 27  2  0  0  0  0
  5 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 28  1  0  0  0  0
 16 27  1  0  0  0  0
 17 23  1  0  0  0  0
 18 26  1  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
M  CHG  7   6   3  10  -1  11  -1  12  -1  13  -1  14  -1  29   1
M  END
> <cas.rn>
80529-93-7

> <cas.index.name>
Gadolinate(2-), [N,N-bis[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, hydrogen (1:2)

> <molecular.formula>
C14H18GdN3O10.2H

> <molecular.weight>
547.58

$$$$
