KEGG   COMPOUND: C01553Help
Entry
C01553                      Compound                               

Name
Amsacrine;
mAMSA;
4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide
Formula
C21H19N3O3S
Exact mass
393.1147
Mol weight
393.4589
Structure
Mol fileKCF fileDB search
Remark
Same as: D02321
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C01553  Amsacrine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX01 Amsacrine
      D02321  Amsacrine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D02321  Amsacrine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 51264-14-3
PubChem: 4711
ChEBI: 2687
ChEMBL: CHEMBL43
PDB-CCD: ASW[PDBj]
NIKKAJI: J1.056A
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    31.7100  -27.7200
            2   C8x C    31.7100  -29.1200
            3   C8x C    32.9000  -29.8200
            4   C8y C    34.1600  -29.1200
            5   C8y C    34.1600  -27.7200
            6   C8x C    32.9000  -27.0200
            7   N5x N    35.3500  -29.8200
            8   C8y C    36.5400  -29.1200
            9   C8y C    36.5400  -27.7200
            10  C8y C    35.3500  -27.0200
            11  C8x C    37.8000  -29.8200
            12  C8x C    38.9900  -29.1200
            13  C8x C    38.9900  -27.7200
            14  C8x C    37.8000  -27.0200
            15  N1b N    35.3500  -25.6200
            16  C8y C    36.5400  -24.9200
            17  C8x C    37.7300  -25.6200
            18  C8x C    38.9900  -24.9200
            19  C8y C    38.9900  -23.5200
            20  C8x C    37.8000  -22.8200
            21  C8y C    36.5400  -23.5200
            22  O2a O    35.3500  -22.8200
            23  C1a C    34.1600  -23.5200
            24  N1b N    40.1800  -22.8200
            25  S4a S    41.5800  -22.8200
            26  C1a C    42.9800  -22.8200
            27  O3c O    41.5800  -24.2200
            28  O3c O    41.5800  -21.4200
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   16  21 1
            25   21  22 1
            26   22  23 1
            27   19  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   25  28 2

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