KEGG   DRUG: Dacarbazine
Entry
D00288                      Drug                                   

Name
Dacarbazine (JAN/USP/INN);
DTIC-Dome (TN)
Product
  Generic
Formula
C6H10N6O
Exact mass
182.0916
Mol weight
182.1832
Structure
Simcomp
Class
Antineoplastic
 DG01677  Alkylating agent
Remark
Same as: C06936
Therapeutic category: 4219
ATC code: L01AX04
Chemical structure group: DG00680
Product (DG00680): D00288<JP/US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Malignant melanoma [DS:H00038]
Hodgkin's disease [DS:H00007]
Target
DNA
RNA
Interaction
Structure map
map07040  Antineoplastics - alkylating agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AX Other alkylating agents
     L01AX04 Dacarbazine
      D00288  Dacarbazine (JAN/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   421  Alkylating agents
    4219  Others
     D00288  Dacarbazine (JAN/USP/INN)
Other DBs
CAS: 4342-03-4
PubChem: 7847354
ChEBI: 177836 4305
ChEMBL: CHEMBL476
DrugBank: DB00851
LigandBox: D00288
NIKKAJI: J2.212H
LinkDB
KCF data

ATOM        13
            1   C8y C    19.2500  -18.5500
            2   C8y C    19.2500  -19.9500
            3   N5x N    20.5815  -20.3826
            4   C8x C    21.4044  -19.2500
            5   N4x N    20.5815  -18.1174
            6   N2b N    18.0376  -17.8500
            7   N2b N    16.8251  -18.5500
            8   N1a N    16.8251  -19.9500
            9   C5a C    18.0376  -20.6500
            10  O5a O    18.0376  -22.0498
            11  N1c N    15.5940  -17.8390
            12  C1a C    14.3888  -18.5347
            13  C1a C    15.5943  -16.4501
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 2
            8     8   9 1
            9     2   9 1
            10    9  10 2
            11    7  11 1
            12   11  12 1
            13   11  13 1

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KEGG   DRUG: Dacarbazine citrate
Entry
D07772                      Drug                                   

Name
Dacarbazine citrate
Formula
C6H8O7. C6H10N6O
Exact mass
374.1186
Mol weight
374.3067
Structure
Class
Antineoplastic
 DG01677  Alkylating agent
Remark
ATC code: L01AX04
Chemical structure group: DG00680
Product (DG00680): D00288<JP/US>
Efficacy
Antineoplastic, Alkylating agent
Target
DNA
RNA
Interaction
Structure map
map07040  Antineoplastics - alkylating agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AX Other alkylating agents
     L01AX04 Dacarbazine
      D07772  Dacarbazine citrate
Other DBs
CAS: 64038-56-8
PubChem: 96024470
LigandBox: D07772
LinkDB
KCF data

ATOM        26
            1   C8y C    21.0732   -6.8628
            2   C8y C    21.0732   -8.2631
            3   N5x N    22.4034   -8.6831
            4   C8x C    23.2435   -7.5630
            5   N4x N    22.4034   -6.4428
            6   N2b N    19.8830   -6.1627
            7   N2b N    18.6228   -6.8628
            8   N1a N    18.6228   -8.2631
            9   C5a C    19.8830   -8.9632
            10  O5a O    19.8830  -10.3634
            11  N1c N    17.4326   -6.1627
            12  C1a C    16.2424   -6.8628
            13  C1a C    17.4326   -4.7625
            14  C1d C    29.8200   -7.0000
            15  C1b C    28.6300   -7.7000
            16  C1b C    31.0100   -7.7000
            17  C6a C    30.5200   -5.8100
            18  O1a O    29.1200   -5.8100
            19  C6a C    27.4400   -7.0700
            20  C6a C    31.0100   -9.1000
            21  O6a O    29.8200   -4.6200
            22  O6a O    31.9200   -5.8100
            23  O6a O    26.1800   -7.7700
            24  O6a O    27.4400   -5.6700
            25  O6a O    32.2700   -9.8000
            26  O6a O    29.8200   -9.8000
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 2
            8     8   9 1
            9     2   9 1
            10    9  10 2
            11    7  11 1
            12   11  12 1
            13   11  13 1
            14   14  15 1
            15   14  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 1
            21   17  22 2
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   20  26 2

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