KEGG   DRUG: Nimustine hydrochlorideHelp
Entry
D01059                      Drug                                   

Name
Nimustine hydrochloride (JAN);
Nidran (TN)
Formula
C9H13ClN6O2. HCl
Exact mass
308.0555
Mol weight
309.1525
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01724  Nitrosourea
Remark
Same as: C11276
Therapeutic category: 4219
ATC code: L01AD06
Chemical structure group: DG00679
Product (DG00679): D01059<JP>
Efficacy
Antineoplastic, Alkylating agent
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
      D01059  Nimustine hydrochloride (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   421  Alkylating agents
    4219  Others
     D01059  Nimustine hydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 55661-38-6
PubChem: 7848122
ChEBI: 7576
ChEMBL: CHEMBL1256616
LigandBox: D01059
NIKKAJI: J239.129E
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    19.8800  -19.6000
            2   N5x N    19.8800  -18.2000
            3   C8y C    21.0700  -17.5000
            4   C8y C    22.2600  -18.2000
            5   C8x C    22.2600  -19.6000
            6   N5x N    21.0700  -20.3000
            7   C1a C    18.6200  -20.3000
            8   N1a N    21.0700  -16.1000
            9   C1b C    23.5200  -17.5000
            10  N1b N    24.7100  -18.2000
            11  C5a C    25.9000  -17.5000
            12  O5a O    25.9000  -16.1000
            13  N1c N    27.1600  -18.2000
            14  C1b C    28.3500  -17.5000
            15  C1b C    29.5400  -18.2000
            16  X   Cl   30.7300  -17.5700
            17  N2b N    27.1600  -19.6000
            18  O3a O    25.9000  -20.3000
            19  X   Cl   33.8100  -17.6400
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

» Japanese version   » Back

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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