KEGG   DRUG: CefotiamHelp
Entry
D07648                      Drug                                   

Name
Cefotiam (INN);
CTM;
Aspil (TN)
Formula
C18H23N9O4S3
Exact mass
525.1035
Mol weight
525.6281
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01714  Cephalosporin skeleton group
   DG01488  Cephem
 DG01775  Second-generation cephalosporin
Remark
Same as: C21544
ATC code: J01DC07
Chemical structure group: DG00563
Product (DG00563): D01819<JP>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Drug 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
     J01DC07 Cefotiam
      D07648  Cefotiam (INN)
Prodrugs [br08324.html]
 D07648
BRITE hierarchy
Other DBs
CAS: 61622-34-2
PubChem: 51091952
ChEBI: 355510
ChEMBL: CHEMBL1296
DrugBank: DB00229
LigandBox: D07648
NIKKAJI: J18.083A
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1y C    22.4700  -16.5200
            2   N1y N    22.4700  -17.9200
            3   C2y C    23.6600  -18.6200
            4   C2y C    24.8500  -17.9200
            5   C1x C    24.8500  -16.5200
            6   S2x S    23.6600  -15.8200
            7   C1y C    21.0700  -16.5200
            8   C5x C    21.0700  -17.9200
            9   N1b N    19.8800  -15.8200
            10  C5a C    18.6900  -16.5200
            11  O5a O    18.6900  -17.9200
            12  O5x O    19.8800  -18.6200
            13  C1b C    17.4300  -15.8200
            14  C1b C    26.1100  -18.6200
            15  C6a C    23.6600  -20.0200
            16  O6a O    22.4700  -20.7200
            17  O6a O    24.8500  -20.6500
            18  C8y C    16.2400  -16.5200
            19  S2a S    27.3000  -17.9200
            20  C8y C    28.4900  -18.6200
            21  N5x N    28.9100  -20.0200
            22  N5x N    30.3100  -20.0200
            23  N5x N    30.7300  -18.6900
            24  N4y N    29.6100  -17.8500
            25  C8x C    15.1200  -15.7500
            26  S2x S    13.9300  -16.5900
            27  C8y C    14.4200  -17.9200
            28  N5x N    15.8200  -17.9200
            29  C1b C    29.6100  -16.3800
            30  C1b C    30.8000  -15.6800
            31  N1c N    31.9900  -16.3100
            32  C1a C    33.1800  -15.6100
            33  C1a C    31.9900  -17.7100
            34  N1a N    13.5800  -19.0400
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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