KEGG   COMPOUND: C21544
Entry
C21544                      Compound                               
Name
Cefotiam
Formula
C18H23N9O4S3
Exact mass
525.1035
Mol weight
525.6281
Structure
Remark
Same as: D07648
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
     J01DC07 Cefotiam
      D07648  Cefotiam (INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00563  Cefotiam
      D07648  Cefotiam
  DG01775  Second-generation cephalosporin
   DG00563  Cefotiam
    D07648  Cefotiam
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Second-generation cephalosporin
    D07648  Cefotiam (INN)
Prodrugs [br08324.html]
 D07648
Prodrugs [br08324.html]
 C21544
Other DBs
CAS: 61622-34-2
PubChem: 336445182
LinkDB
KCF data

ATOM        34
            1   C1y C    17.7506  -14.7998
            2   N1y N    17.7506  -16.2024
            3   C2y C    18.9427  -16.9036
            4   C2y C    20.1349  -16.2024
            5   C1x C    20.1349  -14.7998
            6   S2x S    18.9427  -14.0986
            7   C1y C    16.3481  -14.7998
            8   C5x C    16.3481  -16.2024
            9   N1b N    15.1559  -14.0986
            10  C5a C    13.9638  -14.7998
            11  O5a O    13.9638  -16.2024
            12  O5x O    15.1559  -16.9036
            13  C1b C    12.7015  -14.0986
            14  C1b C    21.3972  -16.9036
            15  C6a C    18.9427  -18.3062
            16  O6a O    17.7506  -19.0074
            17  O6a O    20.1349  -18.9373
            18  C8y C    11.5093  -14.7998
            19  S2a S    22.5893  -16.2024
            20  C8y C    23.7815  -16.9036
            21  N5x N    24.2022  -18.3062
            22  N5x N    25.6048  -18.3062
            23  N5x N    26.0255  -16.9738
            24  N4y N    24.9035  -16.1322
            25  C8x C    10.3873  -14.0285
            26  S2x S     9.1952  -14.8700
            27  C8y C     9.6860  -16.2024
            28  N5x N    11.0886  -16.2024
            29  C1b C    24.9035  -14.6596
            30  C1b C    26.0956  -13.9583
            31  N1c N    27.2878  -14.5895
            32  C1a C    28.4799  -13.8882
            33  C1a C    27.2878  -15.9920
            34  N1a N     8.8445  -17.3244
BOND        37
            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 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   20  24 1
            27   18  25 2
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   18  28 1
            32   24  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   31  33 1
            37   27  34 1

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