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
341.6612
Structure
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
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
Other DBs
CAS: 3223-07-2
PubChem: 96024863
ChEMBL: CHEMBL1200863
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

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