KEGG   DRUG: Bendamustine hydrochloride hydrate
Entry
D11661                      Drug                                   
Name
Bendamustine hydrochloride hydrate (JAN);
Bendamustine hydrochloride monohydrate;
Treakisym (TN)
Formula
C16H21Cl2N3O2. HCl. H2O
Exact mass
411.0883
Mol weight
412.73
Structure
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analog
Remark
Therapeutic category: 4219
ATC code: L01AA09
Chemical structure group: DG00678
Product (DG00678): D07085<JP/US> D11661<JP>
Efficacy
Antineoplastic, Alkylating agent
Target
DNA
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AA Nitrogen mustard analogues
     L01AA09 Bendamustine
      D11661  Bendamustine hydrochloride hydrate (JAN) <JP>
USP drug classification [BR:br08302]
 Antineoplastics
  Alkylating Agents
   Nitrogen Mustards
    Bendamustine
     D11661  Bendamustine hydrochloride hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   421  Alkylating agents
    4219  Others
     D11661  Bendamustine hydrochloride hydrate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01678  Nitrogen mustard analog
    DG00678  Bendamustine
     D11661  Bendamustine hydrochloride hydrate
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01678  Nitrogen mustard analog
    DG00678  Bendamustine
Other DBs
CAS: 1374784-02-7
PubChem: 405226528
LinkDB
KCF data

ATOM        25
            1   C8y C    15.0648  -15.6955
            2   N1c N    13.9437  -16.3962
            3   C1b C    13.9437  -17.7275
            4   C1b C    12.6825  -15.6955
            5   C1b C    12.6825  -14.2240
            6   X   Cl   11.4913  -13.5233
            7   C1b C    15.1349  -18.4282
            8   X   Cl   15.1349  -19.8295
            9   C8x C    16.3261  -16.3962
            10  C8y C    17.5173  -15.6955
            11  C8y C    17.5173  -14.2941
            12  C8x C    16.2560  -13.5934
            13  C8x C    15.0648  -14.2941
            14  N5x N    18.8486  -16.1159
            15  C8y C    19.6894  -14.9948
            16  N4y N    18.8486  -13.8036
            17  C1b C    21.0908  -14.9948
            18  C1b C    21.7915  -16.1859
            19  C1b C    23.1928  -16.1859
            20  C6a C    23.8935  -17.3771
            21  O6a O    25.2949  -17.3771
            22  O6a O    23.1928  -18.6384
            23  C1a C    19.2690  -12.5424
            24  X   Cl   25.7854  -13.3131
            25  O0  O    26.2500  -15.3300
BOND        24
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     3   7 1
            7     7   8 1
            8     1   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    1  13 1
            14   10  14 1
            15   14  15 2
            16   15  16 1
            17   11  16 1
            18   15  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   16  23 1

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