KEGG   DRUG: Deferitazole Magnesium
Entry
D10389                      Drug                                   
Name
Deferitazole Magnesium (USAN)
Formula
C18H24NO7S. MgHO
Exact mass
439.1151
Mol weight
439.77
Structure
Simcomp
Class
Vitamin and mineral
 DG01692  Chelator
  DG01691  Iron chelator
Remark
Chemical structure group: DG01736
Efficacy
Antidote (iron), Chelating agent
Comment
Treatment of transfusional iron overload
Interaction
Brite
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01691  Iron chelator
    DG01736  Deferitazole
     D10389  Deferitazole Magnesium
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01691  Iron chelator
    DG01736  Deferitazole
Other DBs
CAS: 1173092-59-5
PubChem: 172232482
LinkDB
KCF data

ATOM        29
            1   Z   Mg   32.3101  -14.3682 #+
            2   O1a O    32.3318  -16.1734
            3   C8x C    22.7500  -16.9400
            4   C8x C    22.7500  -18.3400
            5   C8y C    23.9400  -19.0400
            6   C8y C    25.2000  -18.3400
            7   C8y C    25.2000  -16.9400
            8   C8x C    23.9400  -16.2400
            9   C2y C    26.3900  -16.2400
            10  S2x S    27.7900  -16.6600
            11  C1x C    28.5600  -15.5400
            12  C1z C    27.7900  -14.4200
            13  N2x N    26.3900  -14.8400
            14  C1a C    27.3000  -13.1600
            15  C6a C    29.0500  -13.7200
            16  O6a O    30.1700  -14.4200 #-
            17  O6a O    29.0500  -12.3200
            18  O1a O    26.3900  -19.0400
            19  O2a O    23.9400  -20.4400
            20  C1b C    22.7500  -21.1400
            21  C1b C    21.4900  -20.3700
            22  O2a O    20.3000  -21.0700
            23  C1b C    19.1100  -20.3700
            24  C1b C    17.9200  -21.0700
            25  O2a O    16.6600  -20.3000
            26  C1b C    15.4700  -21.0000
            27  C1b C    14.2800  -20.3000
            28  O2a O    13.0900  -21.0000
            29  C1a C    11.8300  -20.2300
BOND        29
            1     1   2 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 2
            7     3   8 1
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    9  13 2
            14   12  14 1 #Down
            15   12  15 1 #Up
            16   15  16 1
            17   15  17 2
            18    6  18 1
            19    5  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1

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