KEGG   DRUG: Penicillin V benzathineHelp
Entry
D02405                      Drug                                   

Name
Penicillin V benzathine (USP)
Formula
(C16H18N2O5S)2. C16H20N2
Exact mass
940.3499
Mol weight
941.1224
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01778  beta-Lactamase sensitive penicillin
Remark
ATC code: J01CE02
Chemical structure group: DG00535
Product (DG00535): D00497<US>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CE Beta-lactamase sensitive penicillins
     J01CE02 Phenoxymethylpenicillin
      D02405  Penicillin V benzathine (USP)
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Penicillins
   Penicillin V
    D02405  Penicillin V benzathine (USP)
BRITE hierarchy
Other DBs
CAS: 5928-84-7
PubChem: 7849463
ChEBI: 31973
ChEMBL: CHEMBL1396177
LigandBox: D02405
NIKKAJI: J231.185B
LinkDB All DBs
KCF data Show

ATOM        66
            1   C8x C    40.2671  -14.3518
            2   C8x C    40.2671  -12.9511
            3   C8x C    41.4830  -12.2509
            4   C8x C    42.6918  -12.9511
            5   C8y C    42.6918  -14.3518
            6   C8x C    41.4830  -15.0522
            7   C1b C    43.8960  -15.0522
            8   N1b N    45.1057  -14.3590
            9   C1b C    46.3153  -15.0593
            10  C1b C    47.5250  -14.3659
            11  N1b N    48.7347  -15.0663
            12  C1b C    49.9444  -14.3731
            13  C8y C    51.1541  -15.0734
            14  C8x C    52.3655  -14.3760
            15  C8x C    53.5751  -15.0763
            16  C8x C    53.5734  -16.4741
            17  C8x C    52.3621  -17.1715
            18  C8x C    51.1522  -16.4712
            19  C1y C    33.2234  -13.8209
            20  C5x C    33.2234  -15.2253
            21  N1y N    34.6279  -15.2253
            22  C1y C    34.6279  -13.8209
            23  C1y C    35.9620  -15.6466
            24  C1z C    36.8046  -14.5230
            25  S2x S    35.9620  -13.3995
            26  C1a C    37.7878  -15.5062
            27  C1a C    37.7878  -13.5399
            28  C6a C    36.4536  -16.9808
            29  O6a O    37.8579  -16.9808
            30  O6a O    35.6108  -18.1042
            31  N1b N    32.0296  -13.1186
            32  C5a C    30.8358  -13.8209
            33  O5x O    32.0296  -15.9275
            34  O5a O    30.8358  -15.2253
            35  C1b C    29.6167  -13.1235
            36  O2a O    28.4246  -13.8186
            37  C8y C    27.2114  -13.1181
            38  C8x C    27.2111  -11.6890
            39  C8x C    25.9988  -10.9895
            40  C8x C    24.7868  -11.6895
            41  C8x C    24.7872  -13.1187
            42  C8x C    25.9995  -13.8182
            43  C1y C    33.2234  -13.8209
            44  C5x C    33.2234  -15.2253
            45  N1y N    34.6279  -15.2253
            46  C1y C    34.6279  -13.8209
            47  S2x S    35.9620  -13.3995
            48  C1z C    36.8046  -14.5230
            49  C1y C    35.9620  -15.6466
            50  C6a C    36.4536  -16.9808
            51  O6a O    37.8579  -16.9808
            52  O6a O    35.6108  -18.1042
            53  C1a C    37.7878  -15.5062
            54  C1a C    37.7878  -13.5399
            55  O5x O    32.0296  -15.9275
            56  N1b N    32.0296  -13.1186
            57  C5a C    30.8358  -13.8209
            58  O5a O    30.8358  -15.2253
            59  C1b C    29.6167  -13.1235
            60  O2a O    28.4246  -13.8186
            61  C8y C    27.2114  -13.1181
            62  C8x C    27.2111  -11.6890
            63  C8x C    25.9988  -10.9895
            64  C8x C    24.7868  -11.6895
            65  C8x C    24.7872  -13.1187
            66  C8x C    25.9995  -13.8182
BOND        71
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  13 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   19  22 1
            24   21  23 1
            25   23  24 1
            26   24  25 1
            27   22  25 1
            28   24  26 1
            29   24  27 1
            30   23  28 1 #Down
            31   28  29 1
            32   28  30 2
            33   19  31 1 #Up
            34   31  32 1
            35   20  33 2
            36   32  34 2
            37   32  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45   37  42 1
            46   43  44 1
            47   44  45 1
            48   45  46 1
            49   43  46 1
            50   45  49 1
            51   49  48 1
            52   48  47 1
            53   46  47 1
            54   48  53 1
            55   48  54 1
            56   49  50 1 #Down
            57   50  51 1
            58   50  52 2
            59   43  56 1 #Up
            60   56  57 1
            61   44  55 2
            62   57  58 2
            63   57  59 1
            64   59  60 1
            65   60  61 1
            66   61  62 2
            67   62  63 1
            68   63  64 2
            69   64  65 1
            70   65  66 2
            71   61  66 1
BRACKET     1    24.2900  -18.4100   24.2900  -10.5000
            1    39.4800  -10.5000   39.4800  -18.4100
            1  2
 ORIGINAL  1   19  20  21  22  25  24  23  28  29  30  26  27  31  34  32  33
            1   35  36  37  38  39  40  41  42  43
 REPEAT    1   44  45  46  47  48  49  50  51  52  53  54  55  56  57  58  59
            1   60  61  62  63  64  65  66  67  68

» Japanese version   » Back

DBGET integrated database retrieval system