KEGG   COMPOUND: C11203Help
Entry
C11203                      Compound                               

Name
Cefozopran;
SCE 2787
Formula
C19H17N9O5S2
Exact mass
515.0794
Mol weight
515.5256
Structure
Mol fileKCF fileDB search
Remark
Same as: D01052
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01D OTHER BETA-LACTAM ANTIBACTERIALS
    J01DE Fourth-generation cephalosporins
     J01DE03 Cefozopran
      D01052  Cefozopran (INN)
BRITE hierarchy
Other DBs
CAS: 113359-04-9
PubChem: 13384
ChEMBL: CHEMBL1276663
NIKKAJI: J404.780J
LinkDB All DBs
KCF data Show

ATOM        35
            1   C1y C    25.4475  -19.5006
            2   N1y N    25.4475  -20.8930
            3   C2y C    26.6309  -21.5892
            4   C2y C    27.8145  -20.8930
            5   C1x C    27.8145  -19.5006
            6   S2x S    26.6309  -18.8044
            7   C1y C    24.0550  -19.5006
            8   C5x C    24.0550  -20.8930
            9   N1b N    22.8019  -18.8044
            10  C5a C    21.6185  -19.5006
            11  O5a O    21.6185  -20.8930
            12  O5x O    22.8019  -21.5892
            13  C2c C    20.4349  -18.8044
            14  C1b C    29.0676  -21.5892
            15  C8y C    19.1818  -19.5006
            16  N5y N    30.2512  -20.8930 #+
            17  N5x N    18.1375  -18.6651
            18  S2x S    16.9540  -19.4310
            19  C8y C    17.3717  -20.8233
            20  N5x N    18.7639  -20.8233
            21  N2b N    20.4349  -17.4119
            22  C6a C    26.6309  -22.9815
            23  O6a O    27.8145  -23.6778 #-
            24  O6a O    25.3778  -23.6778
            25  N1a N    16.5363  -21.9372
            26  C8y C    31.3948  -21.6916
            27  N4y N    32.5089  -20.8534
            28  C8x C    32.0560  -19.5349
            29  C8x C    30.6621  -19.5582
            30  C8x C    31.3948  -23.0836
            31  C8x C    32.5886  -23.7737
            32  C8x C    33.8255  -23.0606
            33  N5x N    33.8255  -21.6685
            34  O2a O    21.6791  -16.7003
            35  C1a C    21.6791  -15.3033
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16   13  15 1
            17   14  16 1
            18   15  17 2
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   13  21 2
            24    3  22 1
            25   22  23 1
            26   22  24 2
            27   19  25 1
            28   16  26 2
            29   26  27 1
            30   27  28 1
            31   28  29 2
            32   16  29 1
            33   26  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   33  27 1
            38   21  34 1
            39   34  35 1

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