KEGG   COMPOUND: C08105Help
Entry
C08105                      Compound                               

Name
Cefonicid sodium
Formula
C18H16N6O8S3. 2Na
Exact mass
585.9987
Mol weight
586.5296
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01D OTHER BETA-LACTAM ANTIBACTERIALS
    J01DC Second-generation cephalosporins
     J01DC06 Cefonicid
      D00912  Cefonicid sodium (USP)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Cephems - Cephalosporins
     Cefonicid
      D00912  Cefonicid sodium (USP)
BRITE hierarchy
Other DBs
CAS: 
61270-78-8
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C1y C    25.8856  -14.8911
            2   N1y N    25.8856  -16.2901
            3   C2y C    27.0972  -16.9895
            4   C2y C    28.3089  -16.2901
            5   C1x C    28.3089  -14.8911
            6   S2x S    27.0972  -14.1916
            7   C1y C    24.4865  -14.8911
            8   C5x C    24.4865  -16.2901
            9   N1b N    23.2751  -14.1916
            10  C5a C    22.0633  -14.8911
            11  O5a O    22.0633  -16.2901
            12  O5x O    23.2751  -16.9895
            13  C1c C    20.8517  -14.1916
            14  C1b C    29.5391  -17.0006
            15  C6a C    27.0972  -18.3883
            16  O6a O    25.8688  -19.0978
            17  O6a O    28.2919  -19.0783 #-
            18  C8y C    19.6206  -14.9027
            19  C8x C    18.4104  -14.2040
            20  C8x C    17.2003  -14.9027
            21  C8x C    17.2003  -16.2999
            22  C8x C    18.4104  -16.9987
            23  C8x C    19.6206  -16.2999
            24  O1a O    20.8517  -12.7878
            25  S2a S    30.7556  -16.2985
            26  C8y C    31.9670  -16.9982
            27  N5x N    32.3909  -18.2439
            28  N5x N    33.7905  -18.2743
            29  N5x N    34.2521  -16.9526
            30  N4y N    33.1376  -16.1053
            31  C1b C    33.1363  -14.6948
            32  S4a S    34.3332  -14.0024
            33  O1d O    35.5461  -13.3022 #-
            34  O1d O    33.6284  -12.7824
            35  O1d O    35.0295  -15.2075
            36  Z   Na   37.0430  -13.3045 #+
            37  Z   Na   29.8201  -19.1801 #+
BOND        38
            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    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   13  24 1 #Up
            27   14  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   26  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   32  34 2
            38   32  35 2

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