KEGG   DRUG: NimustineHelp
Entry
D08276                      Drug                                   

Name
Nimustine (INN)
Formula
C9H13ClN6O2
Exact mass
272.0789
Mol weight
272.6915
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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)
BRITE hierarchy
Other DBs
CAS: 42471-28-3
PubChem: 96024963
ChEBI: 75270
ChEMBL: CHEMBL136737
LigandBox: D08276
NIKKAJI: J16.443G
LinkDB All DBs
KCF data Show

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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