KEGG   DRUG: Ceftriaxone sodium
Entry
D00924                      Drug                                   
Name
Ceftriaxone sodium (USP);
Ceftriaxone sodium hydrate (JP18);
Rocephin (TN)
Product
  Generic
Formula
(C18H16N8O7S3. 2Na)2. 7H2O
Exact mass
1322.0938
Mol weight
1323.1941
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01714  Cephalosporin skeleton group
   DG01488  Cephem
 DG01776  Third-generation cephalosporin
 DG01804  Oxyimino beta-lactam
Remark
Therapeutic category: 6132
ATC code: J01DD04
Chemical structure group: DG00573
Product (DG00573): D00924<JP/US>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
  Disease
Uncomplicated urinary tract infections [DS:H01176]
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Structure map
map07012  Cephalosporins - parenteral agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01D OTHER BETA-LACTAM ANTIBACTERIALS
    J01DD Third-generation cephalosporins
     J01DD04 Ceftriaxone
      D00924  Ceftriaxone sodium (USP) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Cephalosporins
   Ceftriaxone
    D00924  Ceftriaxone sodium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   613  Acting mainly on gram-positive and gram-negative bacteria
    6132  Cephem antibioitics
     D00924  Ceftriaxone sodium (USP); Ceftriaxone sodium hydrate (JP18)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00573  Ceftriaxone
      D00924  Ceftriaxone sodium
  DG01776  Third-generation cephalosporin
   DG00573  Ceftriaxone
    D00924  Ceftriaxone sodium
  DG01804  Oxyimino beta-lactam
   DG00573  Ceftriaxone
    D00924  Ceftriaxone sodium
Drug classes [BR:br08332]
 Antibacterial
  DG01488  Cephem
   D00924  Ceftriaxone sodium
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Third-generation cephalosporin
    D00924  Ceftriaxone sodium (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00924  Ceftriaxone sodium hydrate
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00573  Ceftriaxone
  DG01776  Third-generation cephalosporin
   DG00573  Ceftriaxone
  DG01804  Oxyimino beta-lactam
   DG00573  Ceftriaxone
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Third-generation cephalosporin
    DG00573  Ceftriaxone
Other DBs
CAS: 104376-79-6
PubChem: 7847987
ChEBI: 201820 3514
LigandBox: D00924
NIKKAJI: J2.221.870K
KCF data

ATOM        83
            1   C1y C    23.0416  -18.7698
            2   N1y N    23.0416  -20.1004
            3   C2y C    24.3021  -20.8007
            4   C2y C    25.4927  -20.1004
            5   C1x C    25.4927  -18.7698
            6   S2x S    24.3021  -18.0694
            7   C1y C    21.6409  -18.7698
            8   C5x C    21.6409  -20.1004
            9   N1b N    20.4503  -18.0694
            10  C5a C    19.2598  -18.7698
            11  O5a O    19.2598  -20.1004
            12  O5x O    20.4503  -20.8007
            13  C2c C    18.0692  -18.0694
            14  C1b C    26.6833  -20.8707
            15  C8y C    16.8086  -18.7698
            16  C8x C    15.6881  -17.9294
            17  S2x S    14.5675  -18.7698
            18  C8y C    14.9878  -20.1703
            19  N5x N    16.3885  -20.1703
            20  N2b N    18.0692  -16.5988
            21  C6a C    24.3021  -22.2014
            22  O6a O    25.4927  -22.9717 #-
            23  O6a O    23.0416  -22.9017
            24  S2a S    27.8738  -20.1703
            25  C8y C    29.0644  -20.8707
            26  N1a N    14.1474  -21.2909
            27  N5x N    29.0644  -22.2714
            28  C8y C    30.2550  -22.9717
            29  C8y C    31.5156  -22.2714
            30  N4x N    31.5156  -20.8707 #-
            31  N4y N    30.2550  -20.1703
            32  O5x O    30.2550  -24.3724
            33  O5x O    32.7062  -22.9717
            34  C1a C    30.2550  -18.7698
            35  O2a O    19.2771  -15.8881
            36  C1a C    19.2656  -14.4979
            37  Z   Na   26.9634  -22.9017 #+
            38  Z   Na   32.8461  -20.8707 #+
            39  O0  O    36.9782  -20.6606
            40  C1y C    23.0416  -18.7698
            41  N1y N    23.0416  -20.1004
            42  C2y C    24.3021  -20.8007
            43  C2y C    25.4927  -20.1004
            44  C1x C    25.4927  -18.7698
            45  S2x S    24.3021  -18.0694
            46  C1b C    26.6833  -20.8707
            47  S2a S    27.8738  -20.1703
            48  C8y C    29.0644  -20.8707
            49  N5x N    29.0644  -22.2714
            50  C8y C    30.2550  -22.9717
            51  C8y C    31.5156  -22.2714
            52  N4x N    31.5156  -20.8707 #-
            53  N4y N    30.2550  -20.1703
            54  C1a C    30.2550  -18.7698
            55  O5x O    32.7062  -22.9717
            56  O5x O    30.2550  -24.3724
            57  C6a C    24.3021  -22.2014
            58  O6a O    25.4927  -22.9717 #-
            59  O6a O    23.0416  -22.9017
            60  C5x C    21.6409  -20.1004
            61  C1y C    21.6409  -18.7698
            62  N1b N    20.4503  -18.0694
            63  C5a C    19.2598  -18.7698
            64  O5a O    19.2598  -20.1004
            65  C2c C    18.0692  -18.0694
            66  C8y C    16.8086  -18.7698
            67  C8x C    15.6881  -17.9294
            68  S2x S    14.5675  -18.7698
            69  C8y C    14.9878  -20.1703
            70  N5x N    16.3885  -20.1703
            71  N1a N    14.1474  -21.2909
            72  N2b N    18.0692  -16.5988
            73  O2a O    19.2771  -15.8881
            74  C1a C    19.2656  -14.4979
            75  O5x O    20.4503  -20.8007
            76  Z   Na   26.9634  -22.9017 #+
            77  Z   Na   32.8461  -20.8707 #+
            78  O0  O    36.9782  -20.6606
            79  O0  O    36.9782  -20.6606
            80  O0  O    36.9782  -20.6606
            81  O0  O    36.9782  -20.6606
            82  O0  O    36.9782  -20.6606
            83  O0  O    36.9782  -20.6606
BOND        78
            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   15  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   15  19 1
            22   13  20 2
            23    3  21 1
            24   21  22 1
            25   21  23 2
            26   14  24 1
            27   24  25 1
            28   18  26 1
            29   25  27 2
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   25  31 1
            35   28  32 2
            36   29  33 2
            37   31  34 1
            38   20  35 1
            39   35  36 1
            40   40  41 1
            41   41  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 1
            45   40  45 1
            46   40  61 1
            47   61  60 1
            48   41  60 1
            49   61  62 1 #Up
            50   62  63 1
            51   63  64 2
            52   60  75 2
            53   63  65 1
            54   43  46 1
            55   65  66 1
            56   66  67 2
            57   67  68 1
            58   68  69 1
            59   69  70 2
            60   66  70 1
            61   65  72 2
            62   42  57 1
            63   57  58 1
            64   57  59 2
            65   46  47 1
            66   47  48 1
            67   69  71 1
            68   48  49 2
            69   49  50 1
            70   50  51 1
            71   51  52 1
            72   52  53 1
            73   48  53 1
            74   50  56 2
            75   51  55 2
            76   53  54 1
            77   72  73 1
            78   73  74 1
BRACKET     1    12.5300  -24.6400   12.5300  -15.2600
            1    33.9500  -15.2600   33.9500  -24.6400
            1  2
 ORIGINAL  1    1   2   3   4   5   6  14  25  26  28  29  30  31  32  35  34
            1   33  22  23  24   8   7   9  10  11  13  15  17  18  19  20  27
            1   21  36  37  12  16  38  39
 REPEAT    1   41  42  43  44  45  46  47  48  49  50  51  52  53  54  55  56
            1   57  58  59  60  61  62  63  64  65  66  67  68  69  70  71  72
            1   73  74  75  76  77  78  79
            2    35.0000  -21.2100   35.0000  -19.8100
            2    37.3800  -19.8100   37.3800  -21.2100
            2  7
 ORIGINAL  2   40
 REPEAT    2   80  81  82  83  84  85

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