KEGG   COMPOUND: C07122
Entry
C07122                      Compound                               

Name
Melphalan
Formula
C13H18Cl2N2O2
Exact mass
304.0745
Mol weight
305.2002
Structure
Remark
Same as: D00369
Pathway
map05204  Chemical carcinogenesis - DNA adducts
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AA Nitrogen mustard analogues
     L01AA03 Melphalan
      D00369  Melphalan (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Alkylating Agents
   Melphalan
    D00369  Melphalan (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   421  Alkylating agents
    4219  Others
     D00369  Melphalan (JP18/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00369  Melphalan
Other DBs
CAS: 148-82-3
PubChem: 9332
ChEMBL: CHEMBL852
LinkDB
KCF data

ATOM        19
            1   C8y C    24.0482  -21.2668
            2   N1c N    25.2586  -21.9594
            3   C8x C    22.8380  -21.9594
            4   C8x C    24.0482  -19.8646
            5   C1b C    25.2586  -23.3617
            6   C1b C    26.4748  -21.2668
            7   C8x C    21.6218  -21.2668
            8   C8x C    22.8380  -19.1605
            9   C8y C    21.6277  -19.8762
            10  C1b C    20.4173  -19.1722
            11  C1c C    19.2071  -19.8762
            12  C6a C    17.9909  -19.1722
            13  N1a N    19.2071  -21.2728
            14  O6a O    16.7864  -19.8762
            15  O6a O    17.9909  -17.7698
            16  C1b C    26.4780  -19.8928
            17  X   Cl   27.7033  -19.1889
            18  C1b C    24.0285  -24.0717
            19  X   Cl   24.0281  -25.4753
BOND        19
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     7   9 2
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 1 #Down
            13   12  14 1
            14   12  15 2
            15    8   9 1
            16    6  16 1
            17   16  17 1
            18    5  18 1
            19   18  19 1

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