KEGG   COMPOUND: C07440Help
Entry
C07440                      Compound                               
Name
Phenylbutazone;
Phenbutazone
Formula
C19H20N2O2
Exact mass
308.1525
Mol weight
308.3743
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C07440  Phenylbutazone
BRITE hierarchy
Other DBs
CAS: 
50-33-9
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C1y C    18.0575  -13.2587
            2   C1b C    19.4603  -13.2587
            3   C5x C    17.2158  -12.1364
            4   N1y N    15.9065  -12.5572
            5   N1y N    15.9065  -13.9601
            6   C5x C    17.2158  -14.3809
            7   O5x O    17.6834  -15.6903
            8   O5x O    17.6834  -10.8270
            9   C8x C    12.2591  -10.4530
            10  C8x C    12.2591  -11.8558
            11  C8x C    13.4749  -12.5572
            12  C8y C    14.6907  -11.8558
            13  C8x C    14.6907  -10.4530
            14  C8x C    13.4749   -9.7516
            15  C8x C    12.2591  -14.6615
            16  C8x C    12.2591  -16.0643
            17  C8x C    13.4749  -16.7657
            18  C8x C    14.6907  -16.0643
            19  C8y C    14.6907  -14.6615
            20  C8x C    13.4749  -13.9601
            21  C1b C    20.1617  -12.0429
            22  C1b C    21.5646  -12.0429
            23  C1a C    22.2660  -10.8270
BOND        25
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     3   8 2
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    9  14 1
            15   12   4 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   19   5 1
            23    2  21 1
            24   21  22 1
            25   22  23 1

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