KEGG   DRUG: Daunorubicin citrateHelp
Entry
D10787                      Drug                                   

Name
Daunorubicin citrate;
Daunoxome (TN)
Formula
C27H29NO10. C6H8O7
Exact mass
719.2061
Mol weight
719.6434
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
ATC code: L01DB02
Chemical structure group: DG00697
Product (DG00697): D01264<JP/US>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
Comment
Treatment of advanced HIV-associated Kaposi's sarcoma
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
    L01DB Anthracyclines and related substances
     L01DB02 Daunorubicin
      D10787  Daunorubicin citrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D10787  Daunorubicin citrate
BRITE hierarchy
Other DBs
CAS: 371770-68-2
PubChem: 313046645
ChEMBL: CHEMBL1200475
KCF data Show

ATOM        51
            1   C8x C    11.9537  -13.3518
            2   C8x C    11.9537  -14.7499
            3   C8y C    13.1421  -15.4489
            4   C8y C    14.4003  -14.7499
            5   C8y C    14.4003  -13.3518
            6   C8x C    13.1421  -12.6527
            7   C5x C    15.5887  -15.4489
            8   C8y C    16.7771  -14.7499
            9   C8y C    16.7771  -13.3518
            10  C5x C    15.5887  -12.6527
            11  C8y C    18.0354  -15.4489
            12  C8y C    19.2238  -14.7499
            13  C8y C    19.2238  -13.3518
            14  C8y C    18.0354  -12.6527
            15  C1y C    20.4121  -15.4489
            16  C1x C    21.6704  -14.7499
            17  C1z C    21.6704  -13.3518
            18  C1x C    20.4121  -12.6527
            19  O2a O    13.1421  -16.8470
            20  C1a C    11.9537  -17.5461
            21  O5x O    15.5887  -16.8470
            22  O5x O    15.5887  -11.2546
            23  O1a O    18.0354  -11.2546
            24  O1a O    18.0354  -16.8470
            25  O2a O    20.4121  -16.8470
            26  C1y C    21.6005  -17.5461
            27  C5a C    22.8588  -12.6527
            28  C1a C    24.0472  -13.3518
            29  O5a O    22.8588  -11.2546
            30  O1a O    22.8588  -14.2605
            31  C1x C    21.6005  -18.9441
            32  C1y C    22.8588  -19.6432
            33  C1y C    24.0472  -18.9441
            34  C1y C    24.0472  -17.5461
            35  O2x O    22.8588  -16.8470
            36  N1a N    22.8588  -21.0413
            37  C1a C    25.2356  -16.8470
            38  O1a O    25.2356  -19.6432
            39  C6a C    30.2648  -16.0461
            40  C1b C    31.4561  -16.7469
            41  O6a O    29.0035  -16.7469
            42  O6a O    30.2648  -14.6446
            43  C1d C    32.6473  -16.0461
            44  C1b C    33.8386  -16.7469
            45  C6a C    33.8386  -18.1483
            46  O6a O    32.5772  -18.9191
            47  O6a O    35.0298  -18.8491
            48  C6a C    33.3480  -14.8549
            49  O6a O    32.6473  -13.6636
            50  O6a O    34.7495  -14.8549
            51  O1a O    31.9466  -14.8549
BOND        54
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22    3  19 1
            23   19  20 1
            24    7  21 2
            25   10  22 2
            26   14  23 1
            27   11  24 1
            28   26  25 1 #Down
            29   15  25 1 #Down
            30   17  27 1 #Up
            31   27  28 1
            32   27  29 2
            33   17  30 1 #Down
            34   26  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   26  35 1
            40   32  36 1 #Up
            41   34  37 1 #Up
            42   33  38 1 #Up
            43   39  40 1
            44   39  41 1
            45   39  42 2
            46   40  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 2
            50   45  47 1
            51   43  48 1
            52   48  49 1
            53   48  50 2
            54   43  51 1

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