KEGG   DRUG: Deferoxamine
Entry
D03670                      Drug                                   
Name
Deferoxamine (USAN)
Formula
C25H48N6O8
Exact mass
560.3534
Mol weight
560.684
Structure
Simcomp
Class
Vitamin and mineral
 DG01692  Chelator
  DG01691  Iron chelator
Remark
Same as: C06940
ATC code: V03AC01
Chemical structure group: DG01159
Product (DG01159): D01186<JP/US>
Efficacy
Antidote (iron), Chelating agent
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AC Iron chelating agents
     V03AC01 Deferoxamine
      D03670  Deferoxamine (USAN)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01691  Iron chelator
    DG01159  Deferoxamine
     D03670  Deferoxamine
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01691  Iron chelator
    DG01159  Deferoxamine
Other DBs
CAS: 70-51-9
PubChem: 17397766
ChEBI: 4356
PDB-CCD: KTY[PDBj]
LigandBox: D03670
NIKKAJI: J10.199K
KCF data

ATOM        39
            1   C5a C    24.0376  -15.6561
            2   C1a C    22.1361  -16.3589
            3   N1c N    25.2554  -16.3589
            4   O5a O    24.0376  -14.2584
            5   C1b C    26.4650  -15.6561
            6   O1b O    25.2554  -17.7566
            7   C1b C    27.6828  -16.3589
            8   C1b C    28.8924  -15.6561
            9   C1b C    30.1102  -16.3589
            10  C1b C    31.3200  -15.6561
            11  N1b N    32.5295  -16.3589
            12  C5a C    33.7393  -15.6561
            13  C1b C    34.9571  -16.3589
            14  O5a O    33.7393  -14.2584
            15  C1b C    36.1667  -15.6561
            16  C5a C    37.9445  -16.3589
            17  N1c N    39.1540  -15.6561
            18  O5a O    37.9445  -17.7566
            19  C1b C    40.3719  -16.3589
            20  O1b O    39.1540  -14.2584
            21  C1b C    41.6024  -15.6800
            22  C1b C    42.8149  -16.3800
            23  N1a N    44.0273  -15.6800
            24  C5a C    24.0376  -15.6561
            25  N1c N    25.2554  -16.3589
            26  O5a O    24.0376  -14.2584
            27  C1b C    26.4650  -15.6561
            28  O1b O    25.2554  -17.7566
            29  C1b C    27.6828  -16.3589
            30  C1b C    28.8924  -15.6561
            31  C1b C    30.1102  -16.3589
            32  C1b C    31.3200  -15.6561
            33  N1b N    32.5295  -16.3589
            34  C5a C    33.7393  -15.6561
            35  C1b C    34.9571  -16.3589
            36  O5a O    33.7393  -14.2584
            37  C1b C    36.1667  -15.6561
            38  C1b C    40.3719  -16.3589
            39  C1b C    41.6024  -15.6800
BOND        38
            1    16  17 1
            2    16  18 2
            3    17  20 1
            4    22  23 1
            5     1   2 1
            6     1   3 1
            7     1   4 2
            8     3   5 1
            9     3   6 1
            10    5   7 1
            11    7   8 1
            12    8   9 1
            13    9  10 1
            14   10  11 1
            15   11  12 1
            16   12  13 1
            17   12  14 2
            18   13  15 1
            19   15  24 1
            20   24  25 1
            21   24  26 2
            22   25  27 1
            23   25  28 1
            24   27  29 1
            25   29  30 1
            26   30  31 1
            27   31  32 1
            28   32  33 1
            29   33  34 1
            30   34  35 1
            31   34  36 2
            32   35  37 1
            33   37  16 1
            34   17  19 1
            35   19  21 1
            36   21  38 1
            37   38  39 1
            38   39  22 1
BRACKET     1    23.5200  -18.1300   23.5200  -13.6500
            1    36.4000  -13.6500   36.4000  -18.1300
            1  2
 ORIGINAL  1    1   3   4   5   6   7   8   9  10  11  12  13  14  15
 REPEAT    1   24  25  26  27  28  29  30  31  32  33  34  35  36  37
            2    40.2500  -17.2900   40.2500  -15.3300
            2    41.7900  -15.3300   41.7900  -17.2900
            2  2
 ORIGINAL  2   19  21
 REPEAT    2   38  39

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Ontology (2)   
   KEGG BRITE (2)   
Drug (3)   
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   LigandBox (1)   
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Chemical substance (7)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
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