KEGG   DRUG: Nimustine
Entry
D08276                      Drug                                   

Name
Nimustine (INN)
Formula
C9H13ClN6O2
Exact mass
272.0789
Mol weight
272.6915
Structure
Simcomp
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01724  Nitrosourea
Remark
ATC code: L01AD06
Chemical structure group: DG00679
Product (DG00679): D01059<JP>
Efficacy
Antineoplastic, Alkylating agent
Comment
Nitrosourea
Target
DNA
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
    L01AD Nitrosoureas
     L01AD06 Nimustine
      D08276  Nimustine (INN)
Other DBs
CAS: 42471-28-3
PubChem: 96024963
ChEBI: 75270
ChEMBL: CHEMBL136737
LigandBox: D08276
NIKKAJI: J16.443G
LinkDB
KCF data

ATOM        18
            1   C8y C    19.3200  -19.3200
            2   N5x N    19.3200  -17.9200
            3   C8y C    20.5800  -17.2200
            4   C8y C    21.7700  -17.9200
            5   C8x C    21.7700  -19.3200
            6   N5x N    20.5800  -20.0200
            7   C1a C    18.0600  -20.0200
            8   N1a N    20.5800  -15.8200
            9   C1b C    23.0300  -17.2200
            10  N1b N    24.2200  -17.9200
            11  C5a C    25.4100  -17.2200
            12  O5a O    25.4100  -15.8200
            13  N1c N    26.6700  -17.9200
            14  C1b C    27.8600  -17.2200
            15  C1b C    29.0500  -17.9200
            16  X   Cl   30.2400  -17.2900
            17  N2b N    26.6700  -19.3200
            18  O3a O    25.4100  -20.0200
BOND        18
            1     2   3 1
            2     9  10 1
            3     3   4 2
            4    10  11 1
            5     4   5 1
            6    11  12 2
            7     5   6 2
            8    11  13 1
            9     6   1 1
            10   13  14 1
            11   14  15 1
            12    1   7 1
            13   15  16 1
            14   13  17 1
            15    3   8 1
            16    1   2 2
            17    4   9 1
            18   17  18 2

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