KEGG   DRUG: Cefamandole
Entry
D02344                      Drug                                   
Name
Cefamandole (USAN/INN)
Formula
C18H18N6O5S2
Exact mass
462.0780
Mol weight
462.51
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01714  Cephalosporin skeleton group
   DG01488  Cephem
 DG01775  Second-generation cephalosporin
Remark
Same as: C06879
ATC code: J01DC03
Chemical structure group: DG00559
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
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
    J01DC Second-generation cephalosporins
     J01DC03 Cefamandole
      D02344  Cefamandole (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00559  Cefamandole
      D02344  Cefamandole
  DG01775  Second-generation cephalosporin
   DG00559  Cefamandole
    D02344  Cefamandole
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Second-generation cephalosporin
    D02344  Cefamandole (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00559  Cefamandole
  DG01775  Second-generation cephalosporin
   DG00559  Cefamandole
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Second-generation cephalosporin
    DG00559  Cefamandole
Other DBs
CAS: 34444-01-4
PubChem: 7849403
ChEBI: 3480
PDB-CCD: SMX[PDBj]
LigandBox: D02344
NIKKAJI: J17.432G
LinkDB
KCF data

ATOM        31
            1   C1y C    27.2763  -14.8861
            2   N1y N    27.2763  -16.2847
            3   C2y C    28.4875  -16.9838
            4   C2y C    29.6988  -16.2847
            5   C1x C    29.6988  -14.8861
            6   S2x S    28.4875  -14.1868
            7   C1y C    25.8776  -14.8861
            8   C5x C    25.8776  -16.2847
            9   N1b N    24.6666  -14.1868
            10  C5a C    23.4552  -14.8861
            11  O5a O    23.4552  -16.2847
            12  O5x O    24.6666  -16.9838
            13  C1c C    22.2440  -14.1868
            14  C1b C    30.9286  -16.9949
            15  C6a C    28.4875  -18.3822
            16  O6a O    27.2595  -19.0914
            17  O6a O    29.6818  -19.0719
            18  C8y C    21.0133  -14.8977
            19  C8x C    19.8035  -14.1992
            20  C8x C    18.5938  -14.8977
            21  C8x C    18.5938  -16.2945
            22  C8x C    19.8035  -16.9930
            23  C8x C    21.0133  -16.2945
            24  O1a O    22.2440  -12.7836
            25  S2a S    32.1447  -16.2931
            26  C8y C    33.3557  -16.9925
            27  N5x N    33.7794  -18.2378
            28  N5x N    35.1786  -18.2682
            29  N5x N    35.6400  -16.9469
            30  N4y N    34.5259  -16.0999
            31  C1a C    34.5246  -14.6899
BOND        34
            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

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KEGG   DRUG: Cefamandole sodium
Entry
D02191                      Drug                                   
Name
Cefamandole sodium (JAN);
Kefdole (TN)
Formula
C18H17N6O5S2. Na
Exact mass
484.0600
Mol weight
484.49
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01714  Cephalosporin skeleton group
   DG01488  Cephem
 DG01775  Second-generation cephalosporin
Remark
Same as: C13968
ATC code: J01DC03
Chemical structure group: DG00559
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
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
    J01DC Second-generation cephalosporins
     J01DC03 Cefamandole
      D02191  Cefamandole sodium (JAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00559  Cefamandole
      D02191  Cefamandole sodium
  DG01775  Second-generation cephalosporin
   DG00559  Cefamandole
    D02191  Cefamandole sodium
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Second-generation cephalosporin
    D02191  Cefamandole sodium (JAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00559  Cefamandole
  DG01775  Second-generation cephalosporin
   DG00559  Cefamandole
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Second-generation cephalosporin
    DG00559  Cefamandole
Other DBs
CAS: 30034-03-8
PubChem: 7849251
ChEBI: 34614
LigandBox: D02191
NIKKAJI: J26.445H
LinkDB
KCF data

ATOM        32
            1   C1y C    27.2693  -14.8821
            2   N1y N    27.2693  -16.2804
            3   C2y C    28.4803  -16.9793
            4   C2y C    29.6911  -16.2804
            5   C1x C    29.6911  -14.8821
            6   S2x S    28.4803  -14.1829
            7   C1y C    25.8710  -14.8821
            8   C5x C    25.8710  -16.2804
            9   N1b N    24.6602  -14.1829
            10  C5a C    23.4492  -14.8821
            11  O5a O    23.4492  -16.2804
            12  O5x O    24.6602  -16.9793
            13  C1c C    22.2382  -14.1829
            14  C1b C    30.9206  -16.9905
            15  C6a C    28.4803  -18.3773
            16  O6a O    27.2525  -19.0863
            17  O6a O    29.6742  -19.0668 #-
            18  C8y C    21.0079  -14.8938
            19  C8x C    19.7985  -14.1954
            20  C8x C    18.5890  -14.8938
            21  C8x C    18.5890  -16.2903
            22  C8x C    19.7985  -16.9885
            23  C8x C    21.0079  -16.2903
            24  O1a O    22.2382  -12.7801
            25  S2a S    32.1365  -16.2888
            26  C8y C    33.3471  -16.9880
            27  N5x N    33.7840  -18.3141
            28  N5x N    35.1833  -18.3120
            29  N5x N    35.6136  -16.9807
            30  N4y N    34.4805  -16.1599
            31  C1a C    34.4778  -14.7514
            32  Z   Na   31.1891  -19.0918 #+
BOND        34
            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

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