KEGG   COMPOUND: C19542Help
Entry
C19542                      Compound                               

Name
Triaziquone;
Tris(aziridinyl)-para-benzoquinone
Formula
C12H13N3O2
Exact mass
231.1008
Mol weight
231.2505
Structure
Mol fileKCF fileDB search
Remark
Same as: D07254
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19542  Triaziquone
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AC Ethylene imines
     L01AC02 Triaziquone
      D07254  Triaziquone (INN)
BRITE hierarchy
Other DBs
CAS: 68-76-8
PubChem: 124490214
ChEBI: 27090
ChEMBL: CHEMBL313302
LinkDB All DBs
KCF data Show

ATOM        17
            1   C2y C    27.0900  -17.3600
            2   C2y C    27.0900  -15.9600
            3   C5x C    28.2800  -15.2600
            4   C2x C    29.5400  -15.9600
            5   C2y C    29.5400  -17.3600
            6   C5x C    28.2800  -18.0600
            7   O5x O    28.2800  -19.4600
            8   O5x O    28.2800  -13.8600
            9   N1y N    25.9000  -18.0600
            10  N1y N    25.9000  -15.2600
            11  N1y N    30.7300  -18.0600
            12  C1x C    32.1300  -18.0600
            13  C1x C    31.4300  -19.2500
            14  C1x C    24.5000  -18.0600
            15  C1x C    25.2000  -19.2500
            16  C1x C    25.2000  -14.0000
            17  C1x C    24.5000  -15.2600
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     3   8 2
            9     1   9 1
            10    2  10 1
            11    5  11 1
            12   11  12 1
            13   12  13 1
            14   13  11 1
            15   14   9 1
            16    9  15 1
            17   15  14 1
            18   16  10 1
            19   10  17 1
            20   17  16 1

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