KEGG   COMPOUND: C06923
Entry
C06923                      Compound                               
Name
Cloxacillin
Formula
C19H18ClN3O5S
Exact mass
435.0656
Mol weight
435.8813
Structure
Remark
Same as: D07733
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CF Beta-lactamase resistant penicillins
     J01CF02 Cloxacillin
      D07733  Cloxacillin (INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00541  Cloxacillin
      D07733  Cloxacillin
  DG01779  beta-Lactamase resistant penicillin
   DG00541  Cloxacillin
    D07733  Cloxacillin
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   beta-Lactamase resistant penicillin
    D07733  Cloxacillin (INN)
Other DBs
CAS: 61-72-3
PubChem: 9140
ChEBI: 49566
PDB-CCD: CXN[PDBj]
NIKKAJI: J4.818F
KCF data

ATOM        29
            1   C1y C    27.5667  -14.8899
            2   C5x C    27.5667  -16.2792
            3   N1y N    28.9560  -16.2792
            4   C1y C    28.9560  -14.8899
            5   C1y C    30.2759  -16.6960
            6   C1z C    31.1096  -15.5845
            7   S2x S    30.2759  -14.4731
            8   C1a C    32.0821  -16.5571
            9   C1a C    32.0821  -14.6120
            10  C6a C    30.7622  -18.0854
            11  O6a O    32.1515  -18.0854
            12  O6a O    29.9286  -19.1969
            13  N1b N    26.3858  -14.1952
            14  C5a C    25.2048  -14.8899
            15  O5x O    26.3858  -16.9739
            16  O5a O    25.2048  -16.2792
            17  C8y C    23.9544  -14.1952
            18  C8y C    23.9544  -12.8059
            19  O2x O    22.6330  -12.3765
            20  N5x N    21.8164  -13.5005
            21  C8y C    22.6330  -14.6246
            22  C1a C    25.0784  -11.9892
            23  C8y C    22.6330  -16.0504
            24  C8y C    21.3820  -16.7729
            25  C8x C    21.3822  -18.1987
            26  C8x C    22.6171  -18.9114
            27  C8x C    23.8680  -18.1889
            28  C8x C    23.8678  -16.7631
            29  X   Cl   20.1520  -16.0629
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   17  21 1
            24   18  22 1
            25   21  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   24  29 1

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