KEGG   DRUG: Deferoxamine hydrochloride
Entry
D07780                      Drug                                   
Name
Deferoxamine hydrochloride (USAN);
Desferal (TN)
Formula
C25H48N6O8. HCl
Exact mass
596.3300
Mol weight
597.14
Structure
Simcomp
Class
Vitamin and mineral
 DG01692  Chelator
  DG01691  Iron chelator
Remark
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
      D07780  Deferoxamine hydrochloride (USAN)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01691  Iron chelator
    DG01159  Deferoxamine
     D07780  Deferoxamine hydrochloride
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01691  Iron chelator
    DG01159  Deferoxamine
Other DBs
CAS: 1950-39-6
PubChem: 96024478
LigandBox: D07780
NIKKAJI: J220.072D J244.832G
LinkDB
KCF data

ATOM        40
            1   C5a C    15.1200  -17.7100
            2   C1a C    13.2300  -18.4100
            3   N1c N    16.3800  -18.4100
            4   O5a O    15.1200  -16.3100
            5   C1b C    17.5700  -17.7100
            6   O1b O    16.3800  -19.8100
            7   C1b C    18.7600  -18.4100
            8   C1b C    20.0200  -17.7100
            9   C1b C    21.2100  -18.4100
            10  C1b C    22.4000  -17.7100
            11  N1b N    23.6600  -18.4100
            12  C5a C    24.8500  -17.7100
            13  C1b C    26.0400  -18.4100
            14  O5a O    24.8500  -16.3100
            15  C1b C    27.3000  -17.7100
            16  C5a C    29.0500  -18.4100
            17  N1c N    30.2400  -17.7100
            18  O5a O    29.0500  -19.8100
            19  C1b C    31.5000  -18.4100
            20  O1b O    30.2400  -16.3100
            21  C1b C    32.6900  -17.7100
            22  C1b C    33.9500  -18.4100
            23  N1a N    35.1400  -17.7100
            24  X   Cl   25.1300  -22.1200
            25  C5a C    15.1200  -17.7100
            26  N1c N    16.3800  -18.4100
            27  O5a O    15.1200  -16.3100
            28  C1b C    17.5700  -17.7100
            29  O1b O    16.3800  -19.8100
            30  C1b C    18.7600  -18.4100
            31  C1b C    20.0200  -17.7100
            32  C1b C    21.2100  -18.4100
            33  C1b C    22.4000  -17.7100
            34  N1b N    23.6600  -18.4100
            35  C5a C    24.8500  -17.7100
            36  C1b C    26.0400  -18.4100
            37  O5a O    24.8500  -16.3100
            38  C1b C    27.3000  -17.7100
            39  C1b C    31.5000  -18.4100
            40  C1b C    32.6900  -17.7100
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  25 1
            20   25  26 1
            21   25  27 2
            22   26  28 1
            23   26  29 1
            24   28  30 1
            25   30  31 1
            26   31  32 1
            27   32  33 1
            28   33  34 1
            29   34  35 1
            30   35  36 1
            31   35  37 2
            32   36  38 1
            33   38  16 1
            34   17  19 1
            35   19  21 1
            36   21  39 1
            37   39  40 1
            38   40  22 1
BRACKET     1    14.6300  -20.1600   14.6300  -15.6800
            1    27.5100  -15.6800   27.5100  -20.1600
            1  2
 ORIGINAL  1    1   3   4   5   6   7   8   9  10  11  12  13  14  15
 REPEAT    1   25  26  27  28  29  30  31  32  33  34  35  36  37  38
            2    31.3600  -19.3200   31.3600  -17.3600
            2    32.9000  -17.3600   32.9000  -19.3200
            2  2
 ORIGINAL  2   19  21
 REPEAT    2   39  40

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