KEGG   DRUG: MelphalanHelp
Entry
D00369                      Drug                                   

Name
Melphalan (JP17/USP/INN);
Alkeran (TN)
Product
  Generic
Formula
C13H18Cl2N2O2
Exact mass
304.0745
Mol weight
305.2002
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analogue
Remark
Same as: 
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antineoplastic, Alkylating agent
Target
DNA
Interaction
Drug interaction
Structure map
Antineoplastics - alkylating agents
Immunosuppressive agents
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 (JP17/USP/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Alkylating Agents
   Melphalan
    D00369  Melphalan (JP17/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   421  Alkylating agents
    4219  Others
     D00369  Melphalan (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00369  Melphalan
Antineoplastics [br08340.html]
 D00369
BRITE hierarchy
Other DBs
CAS: 
148-82-3
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        19
            1   C8y C    24.0484  -21.2669
            2   N1c N    25.2588  -21.9595
            3   C8x C    22.8382  -21.9595
            4   C8x C    24.0484  -19.8647
            5   C1b C    25.2588  -23.3618
            6   C1b C    26.4750  -21.2669
            7   C8x C    21.6220  -21.2669
            8   C8x C    22.8382  -19.1606
            9   C8y C    21.6279  -19.8763
            10  C1b C    20.4175  -19.1723
            11  C1c C    19.2073  -19.8763
            12  C6a C    17.9911  -19.1723
            13  N1a N    19.2073  -21.2729
            14  O6a O    16.7866  -19.8763
            15  O6a O    17.9911  -17.7699
            16  C1b C    26.4782  -19.8929
            17  X   Cl   27.7035  -19.1890
            18  C1b C    24.0287  -24.0718
            19  X   Cl   24.0283  -25.4754
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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