KEGG   DRUG: Cephapirin sodiumHelp
Entry
D00908                      Drug                                   

Name
Cephapirin sodium (USP);
Cefapirin sodium (JAN);
CEPR;
Cefadyl (TN)
Formula
C17H16N3O6S2. Na
Exact mass
445.0378
Mol weight
445.4452
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01714  Cephalosporin skeleton group
   DG01488  Cephem
 DG01774  First-generation cephalosporin
Remark
Same as: C08101
ATC code: J01DB08
Chemical structure group: DG00553
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
    J01DB First-generation cephalosporins
     J01DB08 Cefapirin
      D00908  Cephapirin sodium (USP)
BRITE hierarchy
Other DBs
CAS: 24356-60-3
PubChem: 7847971
ChEBI: 3545
ChEMBL: CHEMBL1201043
DrugBank: DB01139
LigandBox: D00908
NIKKAJI: J16.819J
KCF data Show

ATOM        29
            1   C1y C    27.9462  -14.5901
            2   N1y N    27.9462  -15.9871
            3   C2y C    29.1561  -16.6856
            4   C2y C    30.3661  -15.9871
            5   C1x C    30.3661  -14.5901
            6   S2x S    29.1561  -13.8916
            7   C1y C    26.5491  -14.5901
            8   C5x C    26.5491  -15.9871
            9   N1b N    25.3393  -13.8916
            10  C5a C    24.1293  -14.5901
            11  O5a O    24.1293  -15.9871
            12  O5x O    25.3393  -16.6856
            13  C1b C    22.9194  -13.8916
            14  C1b C    31.5946  -16.6967
            15  C6a C    29.1561  -18.0826
            16  O6a O    27.9295  -18.7910
            17  O6a O    30.3491  -18.7715 #-
            18  S2a S    21.6900  -14.6018
            19  O7a O    32.8094  -15.9955
            20  C7a C    34.0201  -16.6945
            21  C1a C    35.2308  -15.9955
            22  O6a O    34.0205  -18.1174
            23  C8y C    20.4971  -13.9138
            24  C8x C    20.4965  -12.5301
            25  C8x C    19.2838  -11.8305
            26  N5x N    18.0716  -12.5310
            27  C8x C    18.0722  -13.9148
            28  C8x C    19.2849  -14.6143
            29  Z   Na   31.7583  -18.8171 #+
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

» Japanese version   » Back

KEGG   DRUG: CefapirinHelp
Entry
D07636                      Drug                                   

Name
Cefapirin (BAN);
Cephapirin;
CEPR;
Metricure (TN)
Formula
C17H17N3O6S2
Exact mass
423.0559
Mol weight
423.4634
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01714  Cephalosporin skeleton group
   DG01488  Cephem
 DG01774  First-generation cephalosporin
Remark
Same as: C06896
ATC code: J01DB08
Chemical structure group: DG00553
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
    J01DB First-generation cephalosporins
     J01DB08 Cefapirin
      D07636  Cefapirin (BAN)
BRITE hierarchy
Other DBs
CAS: 21593-23-7
PubChem: 51091940
ChEBI: 554446
ChEMBL: CHEMBL1599
DrugBank: DB01139
LigandBox: D07636
NIKKAJI: J11.255K
KCF data Show

ATOM        28
            1   C1y C    25.4800  -17.2200
            2   N1y N    25.4800  -18.6200
            3   C2y C    26.6700  -19.3200
            4   C2y C    27.8600  -18.6200
            5   C1x C    27.8600  -17.2200
            6   S2x S    26.6700  -16.5200
            7   C1y C    24.0800  -17.2200
            8   C5x C    24.0800  -18.6200
            9   N1b N    22.8200  -16.5200
            10  C5a C    21.6300  -17.2200
            11  O5a O    21.6300  -18.6200
            12  O5x O    22.8200  -19.3200
            13  C1b C    20.4400  -16.5200
            14  C1b C    29.1200  -19.3200
            15  C6a C    26.6700  -20.7200
            16  O6a O    25.4100  -21.4200
            17  O6a O    27.8600  -21.3500
            18  S2a S    19.1800  -17.2200
            19  O7a O    30.3100  -18.6200
            20  C7a C    31.5700  -19.3200
            21  C1a C    32.7600  -18.6200
            22  O6a O    31.5700  -20.7200
            23  C8y C    17.9900  -16.5200
            24  C8x C    17.9900  -15.1200
            25  C8x C    16.8000  -14.4200
            26  N5x N    15.5400  -15.1200
            27  C8x C    15.5400  -16.5200
            28  C8x C    16.8000  -17.2200
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

» Japanese version   » Back

KEGG   DRUG: Cephapirin benzathineHelp
Entry
D07637                      Drug                                   

Name
Cephapirin benzathine (USP);
Cefapirin benzathine;
Cefa-Dri (TN)
Formula
(C17H17N3O6S2)2. C16H20N2
Exact mass
1086.2744
Mol weight
1087.2702
Structure
Mol fileKCF fileDB search
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01714  Cephalosporin skeleton group
   DG01488  Cephem
 DG01774  First-generation cephalosporin
Remark
ATC code: J01DB08
Chemical structure group: DG00553
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
    J01DB First-generation cephalosporins
     J01DB08 Cefapirin
      D07637  Cephapirin benzathine (USP)
BRITE hierarchy
Other DBs
CAS: 97468-37-6
PubChem: 51091941
ChEMBL: CHEMBL3989837
LigandBox: D07637
KCF data Show

ATOM        74
            1   C1y C    13.9300  -14.3500
            2   N1y N    13.9300  -15.7500
            3   C2y C    15.1200  -16.4500
            4   C2y C    16.3100  -15.7500
            5   C1x C    16.3100  -14.3500
            6   S2x S    15.1200  -13.6500
            7   C1y C    12.5300  -14.3500
            8   C5x C    12.5300  -15.7500
            9   N1b N    11.3400  -13.6500
            10  C5a C    10.1500  -14.3500
            11  O5a O    10.1500  -15.7500
            12  O5x O    11.3400  -16.4500
            13  C1b C     8.9600  -13.6500
            14  C1b C    17.5700  -16.4500
            15  C6a C    15.1200  -17.8500
            16  O6a O    13.8600  -18.5500
            17  O6a O    16.3100  -18.4800
            18  S2a S     7.7000  -14.3500
            19  O7a O    18.7600  -15.7500
            20  C7a C    20.0200  -16.4500
            21  C1a C    21.2100  -15.7500
            22  O6a O    20.0200  -17.8500
            23  C8y C     6.5100  -13.6500
            24  C8x C     6.5100  -12.2500
            25  C8x C     5.3200  -11.5500
            26  N5x N     4.0600  -12.2500
            27  C8x C     4.0600  -13.6500
            28  C8x C     5.3200  -14.3500
            29  C8x C    25.4100  -15.6800
            30  C8x C    25.4100  -14.2800
            31  C8x C    26.6000  -13.5800
            32  C8x C    27.8600  -14.2800
            33  C8y C    27.8600  -15.6800
            34  C8x C    26.6000  -16.3800
            35  C1b C    29.0500  -16.3800
            36  N1b N    30.3100  -15.6800
            37  C1b C    31.5000  -16.3800
            38  C1b C    32.6900  -15.6800
            39  N1b N    33.9500  -16.3800
            40  C1b C    35.1400  -15.6800
            41  C8y C    36.3300  -16.3800
            42  C8x C    37.5200  -15.6800
            43  C8x C    38.7800  -16.3800
            44  C8x C    38.7800  -17.7800
            45  C8x C    37.5900  -18.4800
            46  C8x C    36.3300  -17.7800
            47  C1y C    13.9300  -14.3500
            48  N1y N    13.9300  -15.7500
            49  C2y C    15.1200  -16.4500
            50  C2y C    16.3100  -15.7500
            51  C1x C    16.3100  -14.3500
            52  S2x S    15.1200  -13.6500
            53  C1b C    17.5700  -16.4500
            54  O7a O    18.7600  -15.7500
            55  C7a C    20.0200  -16.4500
            56  C1a C    21.2100  -15.7500
            57  O6a O    20.0200  -17.8500
            58  C6a C    15.1200  -17.8500
            59  O6a O    13.8600  -18.5500
            60  O6a O    16.3100  -18.4800
            61  C5x C    12.5300  -15.7500
            62  C1y C    12.5300  -14.3500
            63  N1b N    11.3400  -13.6500
            64  C5a C    10.1500  -14.3500
            65  O5a O    10.1500  -15.7500
            66  C1b C     8.9600  -13.6500
            67  S2a S     7.7000  -14.3500
            68  C8y C     6.5100  -13.6500
            69  C8x C     6.5100  -12.2500
            70  C8x C     5.3200  -11.5500
            71  N5x N     4.0600  -12.2500
            72  C8x C     4.0600  -13.6500
            73  C8x C     5.3200  -14.3500
            74  O5x O    11.3400  -16.4500
BOND        79
            1    29  30 2
            2    30  31 1
            3    31  32 2
            4    32  33 1
            5    33  34 2
            6    29  34 1
            7    33  35 1
            8    35  36 1
            9    36  37 1
            10   37  38 1
            11   38  39 1
            12   39  40 1
            13   40  41 1
            14   41  42 2
            15   42  43 1
            16   43  44 2
            17   44  45 1
            18   45  46 2
            19   41  46 1
            20    1   2 1
            21    2   3 1
            22    3   4 2
            23    4   5 1
            24    5   6 1
            25    1   6 1
            26    1   7 1
            27    7   8 1
            28    2   8 1
            29    7   9 1 #Up
            30    9  10 1
            31   10  11 2
            32    8  12 2
            33   10  13 1
            34    4  14 1
            35    3  15 1
            36   15  16 2
            37   15  17 1
            38   13  18 1
            39   14  19 1
            40   19  20 1
            41   20  21 1
            42   20  22 2
            43   18  23 1
            44   23  24 2
            45   24  25 1
            46   25  26 2
            47   26  27 1
            48   27  28 2
            49   23  28 1
            50   47  48 1
            51   48  49 1
            52   49  50 2
            53   50  51 1
            54   51  52 1
            55   47  52 1
            56   47  62 1
            57   62  61 1
            58   48  61 1
            59   62  63 1 #Up
            60   63  64 1
            61   64  65 2
            62   61  74 2
            63   64  66 1
            64   50  53 1
            65   49  58 1
            66   58  59 2
            67   58  60 1
            68   66  67 1
            69   53  54 1
            70   54  55 1
            71   55  56 1
            72   55  57 2
            73   67  68 1
            74   68  69 2
            75   69  70 1
            76   70  71 2
            77   71  72 1
            78   72  73 2
            79   68  73 1
BRACKET     1     3.0100  -19.8100    3.0100  -11.1300
            1    23.3100  -11.1300   23.3100  -19.8100
            1  2
 ORIGINAL  1    1   2   3   4   5   6  14  20  21  22  23  15  16  17   8   7
            1    9  10  11  13  18  24  25  26  27  28  29  12  19
 REPEAT    1   48  49  50  51  52  53  54  55  56  57  58  59  60  61  62  63
            1   64  65  66  67  68  69  70  71  72  73  74  75  76

» Japanese version   » Back

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