KEGG   DRUG: D01668Help
Entry
D01668                      Drug                                   

Name
Sultamicillin tosilate hydrate (JP16);
Sultamicillin tosylate dihydrate;
Unasyn (TN)
Formula
C25H30N4O9S2. C7H8O3S. 2H2O
Exact mass
802.186
Mol weight
802.8893
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial
Remark
Therapeutic category: 
ATC code: 
Comment
Sultamicillin is an combination Ampicillin [DR:D00204] and Sulbactam [DR:D08533]
Target
penicillin binding proteins inhibitor;
beta-lactamase inhibitor [KO:K01467]
  Pathway
ko00550  Peptidoglycan biosynthesis
ko00312  beta-Lactam resistance  
 
Interaction
Drug interaction
Structure map
Penicillins
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   613  Acting mainly on gram-positive and gram-negative bacteria
    6131  Penicillins
     D01668  Sultamicillin tosilate hydrate (JP16)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CR Combinations of penicillins, incl. beta-lactamase inhibitors
     J01CR04 Sultamicillin
      D01668  Sultamicillin tosilate hydrate (JP16)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Penicillins
     Sultamicillin [ATC:J01CR04]
      D01668  Sultamicillin tosilate hydrate (JP16)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        53
            1   C8y C    37.7829  -15.0897
            2   C8x C    36.6161  -15.7761
            3   C8x C    39.0183  -15.7761
            4   S4a S    37.7829  -13.7171
            5   C8x C    36.6161  -17.1487
            6   C8x C    39.0183  -17.1487
            7   O1d O    36.4102  -13.7171
            8   O1d O    39.1556  -13.7171
            9   O1d O    37.7829  -12.4130
            10  C8y C    37.7829  -17.8351
            11  C1a C    37.7829  -19.2077
            12  O0  O    35.3203  -18.8646
            13  C1x C    34.1535  -14.9525
            14  C5x C    34.1535  -16.3938
            15  N1y N    32.7809  -16.3938
            16  C1y C    32.7809  -14.9525
            17  C1y C    31.4769  -16.8056
            18  C1z C    30.6533  -15.6388
            19  S2x S    31.4769  -14.5407
            20  C1a C    29.6924  -16.6683
            21  C7a C    30.9964  -18.1096
            22  O7a O    29.6238  -18.1096
            23  O6a O    31.8200  -19.2077
            24  O1d O    31.8200  -13.2366
            25  O1d O    30.5160  -13.5798
            26  C1a C    29.6009  -14.7574
            27  C1y C    21.7996  -14.9525
            28  C5x C    21.7996  -16.3251
            29  N1y N    23.1722  -16.3251
            30  C1y C    23.1722  -14.9525
            31  C1y C    24.4763  -16.7369
            32  C1z C    25.2999  -15.6388
            33  S2x S    24.4763  -14.5407
            34  C1a C    26.2607  -16.5997
            35  C1a C    26.2607  -14.6779
            36  C7a C    24.9567  -18.1096
            37  O7a O    26.3294  -18.1096
            38  O6a O    24.1331  -19.2077
            39  N1b N    20.6328  -14.2661
            40  C5a C    19.4660  -14.9525
            41  O5x O    20.6328  -17.0801
            42  O5a O    19.4660  -16.3251
            43  C1c C    18.2307  -14.2661
            44  C8y C    17.0639  -14.9525
            45  N1a N    18.2307  -12.8935
            46  C8x C    15.8971  -14.2661
            47  C8x C    14.6617  -14.9525
            48  C8x C    14.6617  -16.3251
            49  C8x C    15.8971  -17.0115
            50  C8x C    17.0639  -16.3251
            51  C1b C    27.9079  -19.2983
            52  O5x O    35.3660  -17.0938
            53  O0  O    35.3203  -18.8646
BOND        55
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 2
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10   10  11 1
            11    6  10 2
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   13  16 1
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19   16  19 1
            20   18  20 1
            21   17  21 1 #Up
            22   21  22 1
            23   21  23 2
            24   19  24 2
            25   19  25 2
            26   18  26 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   27  30 1
            31   29  31 1
            32   31  32 1
            33   32  33 1
            34   30  33 1
            35   32  34 1
            36   32  35 1
            37   31  36 1 #Down
            38   36  37 1
            39   36  38 2
            40   27  39 1 #Up
            41   39  40 1
            42   28  41 2
            43   40  42 2
            44   40  43 1
            45   43  44 1
            46   43  45 1 #Up
            47   44  46 2
            48   46  47 1
            49   47  48 2
            50   48  49 1
            51   49  50 2
            52   44  50 1
            53   37  51 1
            54   22  51 1
            55   14  52 2
BRACKET     1    33.4600  -19.6000   33.4600  -17.9900
            1    35.7000  -17.9900   35.7000  -19.6000
            1  2
 ORIGINAL  1   12
 REPEAT    1   55

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