KEGG   COMPOUND: C06896
Entry
C06896                      Compound                               
Name
Cephapirin
Formula
C17H17N3O6S2
Exact mass
423.0559
Mol weight
423.4634
Structure
Remark
Same as: D07636
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
     J01DB08 Cefapirin
      D07636  Cefapirin (BAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00553  cephapirin
      D07636  Cefapirin
  DG01774  First-generation cephalosporin
   DG00553  cephapirin
    D07636  Cefapirin
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   First-generation cephalosporin
    D07636  Cefapirin (BAN)
Other DBs
CAS: 21593-23-7
PubChem: 9113
ChEBI: 554446
NIKKAJI: J11.255K
KCF data

ATOM        28
            1   C1y C    28.3965  -15.2359
            2   N1y N    28.3965  -16.6345
            3   C2y C    29.6078  -17.3337
            4   C2y C    30.8191  -16.6345
            5   C1x C    30.8191  -15.2359
            6   S2x S    29.6078  -14.5367
            7   C1y C    26.9979  -15.2359
            8   C5x C    26.9979  -16.6345
            9   N1b N    25.7868  -14.5367
            10  C5a C    24.5755  -15.2359
            11  O5a O    24.5755  -16.6345
            12  O5x O    25.7868  -17.3337
            13  C1b C    23.3643  -14.5367
            14  C1b C    32.0489  -17.3448
            15  C6a C    29.6078  -18.7322
            16  O6a O    28.3798  -19.4414
            17  O6a O    30.8020  -19.4219
            18  S2a S    22.1335  -15.2477
            19  O7a O    33.2650  -16.6429
            20  C7a C    34.4770  -17.3426
            21  C1a C    35.6890  -16.6429
            22  O6a O    34.4774  -18.7671
            23  C8y C    20.9394  -14.5589
            24  C8x C    20.9388  -13.1737
            25  C8x C    19.7247  -12.4733
            26  N5x N    18.5112  -13.1746
            27  C8x C    18.5118  -14.5599
            28  C8x C    19.7258  -15.2602
BOND        30
            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   14  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   18  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   23  28 1

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