KEGG   DRUG: Cephacetrile sodium
Entry
D01262                      Drug                                   
Name
Cephacetrile sodium (USAN);
Cefacetrile sodium (JAN);
Celtol (TN)
Formula
C13H12N3O6S. Na
Exact mass
361.0345
Mol weight
361.3056
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01714  Cephalosporin skeleton group
   DG01488  Cephem
 DG01774  First-generation cephalosporin
Remark
Same as: C12691
ATC code: J01DB10
Chemical structure group: DG00554
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01D OTHER BETA-LACTAM ANTIBACTERIALS
    J01DB First-generation cephalosporins
     J01DB10 Cefacetrile
      D01262  Cephacetrile sodium (USAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00554  Cefacetrile
      D01262  Cephacetrile sodium
  DG01774  First-generation cephalosporin
   DG00554  Cefacetrile
    D01262  Cephacetrile sodium
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   First-generation cephalosporin
    D01262  Cephacetrile sodium (USAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00554  Cefacetrile
  DG01774  First-generation cephalosporin
   DG00554  Cefacetrile
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   First-generation cephalosporin
    DG00554  Cefacetrile
Other DBs
CAS: 23239-41-0
PubChem: 7848325
ChEBI: 31364
LigandBox: D01262
NIKKAJI: J15.821F
KCF data

ATOM        24
            1   C1y C    27.1957  -14.2175
            2   N1y N    27.1957  -15.6192
            3   C2y C    28.4096  -16.3200
            4   C2y C    29.6236  -15.6192
            5   C1x C    29.6236  -14.2175
            6   S2x S    28.4096  -13.5166
            7   C1y C    25.7940  -14.2175
            8   C5x C    25.7940  -15.6192
            9   N1b N    24.5801  -13.5166
            10  C5a C    23.3661  -14.2175
            11  O5a O    23.3661  -15.6192
            12  O5x O    24.5801  -16.3200
            13  C1b C    22.1523  -13.5166
            14  C3b C    20.9384  -14.2175
            15  C1b C    30.8562  -16.3311
            16  O7a O    32.0628  -15.6345
            17  C7a C    33.2466  -16.3181
            18  C1a C    34.4421  -15.6280
            19  O6a O    33.2466  -17.7216
            20  C6a C    28.4096  -17.7216
            21  O6a O    27.1789  -18.4323
            22  O6a O    29.6066  -18.4128 #-
            23  N3a N    19.7244  -14.9183
            24  Z   Na   31.0100  -18.4100 #+
BOND        24
            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   13  14 1
            16    4  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21    3  20 1
            22   20  21 2
            23   20  22 1
            24   14  23 3

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