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 search
Simcomp 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/US> D08173<US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Multiple myeloma [DS:H00010]
Carcinoma of the ovary [DS:H00027]
Target
DNA
Interaction
Drug 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 (JP17/USP/INN) <JP/US>
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: 7847435
ChEBI: 28876
ChEMBL: CHEMBL852
DrugBank: DB01042
LigandBox: D00369
NIKKAJI: J2.962I
LinkDB All DBs
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

» Japanese version   » Back

KEGG   DRUG: Melphalan hydrochlorideHelp
Entry
D08173                      Drug                                   

Name
Melphalan hydrochloride;
Alkeran (TN);
Evomela (TN)
Product
  Generic
Formula
C13H18Cl2N2O2. HCl
Exact mass
340.0512
Mol weight
341.6612
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analog
Remark
ATC code: L01AA03
Chemical structure group: DG00676
Product (DG00676): D00369<JP/US> D08173<US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Multiple myeloma [DS:H00010]
Comment
Nitrogen mustard analogs
Target
DNA
Interaction
Drug 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
   Melphalan
    D08173  Melphalan hydrochloride
Antineoplastics [br08340.html]
 D08173
BRITE hierarchy
Other DBs
CAS: 3223-07-2
PubChem: 96024863
ChEMBL: CHEMBL1200863
LigandBox: D08173
NIKKAJI: J244.776B
LinkDB All DBs
KCF data Show

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

DBGET integrated database retrieval system