KEGG   COMPOUND: C14007
Entry
C14007                      Compound                               
Name
Cefotetan disodium;
Cefotetan sodium
Formula
C17H15N7O8S4. 2Na
Exact mass
618.966
Mol weight
619.5826
Structure
Remark
Same as: D02228
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
     J01DC05 Cefotetan
      D02228  Cefotetan disodium (USP) <US>
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Cephalosporins
   Cefotetan
    D02228  Cefotetan disodium (USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00561  Cefotetan
      D02228  Cefotetan disodium
  DG01775  Second-generation cephalosporin
   DG00561  Cefotetan
    D02228  Cefotetan disodium
Drug classes [BR:br08332]
 Antibacterial
  DG01488  Cephem
   D02228  Cefotetan disodium
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Second-generation cephalosporin
    D02228  Cefotetan disodium (USP) <US>
Other DBs
CAS: 74356-00-6
PubChem: 854248
NIKKAJI: J66.406E
LinkDB
KCF data

ATOM        38
            1   C1y C    28.1691  -16.1553
            2   N1y N    28.1691  -17.5268
            3   C2y C    29.3569  -18.2124
            4   C2y C    30.5448  -17.5268
            5   C1x C    30.5448  -16.1553
            6   S2x S    29.3569  -15.4695
            7   C1z C    26.7975  -16.1553
            8   C5x C    26.7975  -17.5268
            9   N1b N    25.6099  -15.4695
            10  C5a C    24.4221  -16.1553
            11  O5a O    24.4221  -17.5268
            12  O5x O    25.6099  -18.2124
            13  C1y C    23.2343  -15.4695
            14  C1b C    31.7506  -18.2235
            15  C6a C    29.3569  -19.5839
            16  O6a O    28.1526  -20.2793
            17  O6a O    30.5280  -20.2600 #-
            18  S2a S    32.9431  -17.5350
            19  C8y C    34.1306  -18.2209
            20  N5x N    34.5965  -19.5098
            21  N5x N    35.9683  -19.5379
            22  N5x N    36.3529  -18.1506
            23  N4y N    35.2184  -17.3780
            24  O2a O    26.7975  -13.9603
            25  C1a C    27.9827  -13.2759
            26  C1a C    35.2184  -15.9813
            27  S2x S    22.8747  -14.1270
            28  C2y C    21.5322  -14.4866
            29  S2x S    21.8918  -15.8291
            30  C2c C    20.3013  -13.7754
            31  C5a C    19.0884  -14.4752
            32  C6a C    20.3019  -12.3938
            33  N1a N    17.9092  -13.7940
            34  O5a O    19.0875  -15.8952
            35  O6a O    21.5233  -11.6895 #-
            36  O6a O    19.0971  -11.6976
            37  Z   Na   22.9874  -11.7040 #+
            38  Z   Na   32.0282  -20.2542 #+
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    3  15 1
            17   15  16 2
            18   15  17 1
            19   14  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   19  23 1
            26    7  24 1 #Down
            27   24  25 1
            28   23  26 1
            29   13  27 1
            30   27  28 1
            31   28  29 1
            32   13  29 1
            33   28  30 2
            34   30  31 1
            35   30  32 1
            36   31  33 1
            37   31  34 2
            38   32  35 1
            39   32  36 2

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