KEGG   DRUG: Melphalan
Entry
D00369                      Drug                                   
Name
Melphalan (JP18/USP/INN);
Alkeran (TN)
Formula
C13H18Cl2N2O2
Exact mass
304.0745
Mol weight
305.20
Structure
Simcomp
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analog
Remark
Same as: C07122
Therapeutic category: 4219
ATC code: L01AA03
Chemical structure group: DG00676
Product (DG00676): D00369<JP> D08173<US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Multiple myeloma [DS:H00010]
Carcinoma of the ovary [DS:H00027]
Target
DNA
Interaction
Structure map
map07040  Antineoplastics - alkylating agents
map07046  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 (JP18/USP/INN) <JP>
USP drug classification [BR:br08302]
 Antineoplastics
  Alkylating Agents
   Nitrogen Mustards
    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)
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01678  Nitrogen mustard analog
    DG00676  Melphalan
     D00369  Melphalan
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00369  Melphalan
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01678  Nitrogen mustard analog
    DG00676  Melphalan
Other DBs
CAS: 148-82-3
PubChem: 7847435
ChEBI: 28876
LigandBox: D00369
NIKKAJI: J2.962I
LinkDB
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Melphalan hydrochloride
Entry
D08173                      Drug                                   
Name
Melphalan hydrochloride;
Alkeran (TN);
Evomela (TN)
Product
  Generic
Formula
C13H18Cl2N2O2. HCl
Exact mass
340.0512
Mol weight
341.66
Structure
Simcomp
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analog
Remark
ATC code: L01AA03
Chemical structure group: DG00676
Product (DG00676): D00369<JP> D08173<US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Multiple myeloma [DS:H00010]
Comment
Nitrogen mustard analogs
Target
DNA
Interaction
Structure map
map07040  Antineoplastics - alkylating agents
map07046  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
      D08173  Melphalan hydrochloride <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Alkylating Agents
   Nitrogen Mustards
    Melphalan
     D08173  Melphalan hydrochloride
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01678  Nitrogen mustard analog
    DG00676  Melphalan
     D08173  Melphalan hydrochloride
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08173
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01678  Nitrogen mustard analog
    DG00676  Melphalan
Other DBs
CAS: 3223-07-2
PubChem: 96024863
LigandBox: D08173
NIKKAJI: J244.776B
LinkDB
KCF data

ATOM        20
            1   C8y C    25.9700  -17.5700
            2   N1c N    27.1600  -18.2700
            3   C8x C    24.7100  -18.2700
            4   C8x C    25.9700  -16.1700
            5   C1b C    27.1600  -19.6700
            6   C1b C    28.3500  -17.5700
            7   C8x C    23.5200  -17.5700
            8   C8x C    24.7100  -15.4700
            9   C8y C    23.5200  -16.1700
            10  C1b C    22.3300  -15.4700
            11  C1c C    21.0700  -16.1700
            12  C6a C    19.8800  -15.4700
            13  N1a N    21.0700  -17.5700
            14  O6a O    18.6900  -16.1700
            15  O6a O    19.8800  -14.0700
            16  C1b C    28.3500  -16.1700
            17  X   Cl   29.6100  -15.4700
            18  C1b C    25.9000  -20.3700
            19  X   Cl   25.9000  -21.7700
            20  X   Cl   31.2900  -19.3900
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

» Japanese version   » Back

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