KEGG   DRUG: Hetacillin
Entry
D01074                      Drug                                   
Name
Hetacillin (USAN/INN);
Versapen (TN)
Formula
C19H23N3O4S
Exact mass
389.1409
Mol weight
389.4686
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penicillin
 DG01780  Extended spectrum penicillin
Remark
Same as: C11729
ATC code: J01CA18
Chemical structure group: DG00532
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Comment
Active form of prodrug: Ampicillin [DR:D00204]
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Structure map
map07011  Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CA Penicillins with extended spectrum
     J01CA18 Hetacillin
      D01074  Hetacillin (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00532  Hetacillin
      D01074  Hetacillin
  DG01780  Extended spectrum penicillin
   DG00532  Hetacillin
    D01074  Hetacillin
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    D01074  Hetacillin (USAN/INN)
Prodrugs [br08324.html]
 D01074
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00532  Hetacillin
  DG01780  Extended spectrum penicillin
   DG00532  Hetacillin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    DG00532  Hetacillin
Prodrugs [br08324.html]
 DG00532
Other DBs
CAS: 3511-16-8
PubChem: 7848137
ChEBI: 5683
LigandBox: D01074
NIKKAJI: J7.741K
LinkDB
KCF data

ATOM        27
            1   C1y C    27.5800  -15.5697
            2   C5x C    27.5800  -16.9415
            3   N1y N    28.9517  -16.9415
            4   C1y C    28.9517  -15.5697
            5   C1y C    30.2548  -17.3528
            6   C1z C    31.0776  -16.2554
            7   S2x S    30.2548  -15.1581
            8   C1a C    32.0379  -17.2156
            9   C1a C    32.0379  -15.2953
            10  C6a C    30.7348  -18.6559
            11  O6a O    32.1064  -18.6559
            12  O6a O    29.9117  -19.7531
            13  N1y N    26.4141  -14.8838
            14  C5x C    25.2482  -15.5697
            15  O5x O    26.4141  -17.6272
            16  O5x O    25.2482  -16.9415
            17  C1y C    24.0575  -14.8886
            18  C8y C    22.8933  -15.5674
            19  N1x N    24.0575  -13.5204
            20  C8x C    21.7083  -14.8833
            21  C8x C    20.5236  -15.5674
            22  C8x C    20.5236  -16.9357
            23  C8x C    21.7083  -17.6198
            24  C8x C    22.8933  -16.9357
            25  C1z C    26.4136  -13.4899
            26  C1a C    27.3843  -12.5059
            27  C1a C    25.8814  -12.2399
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   17  19 1 #Up
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1
            27   13  25 1
            28   19  25 1
            29   25  26 1
            30   25  27 1

» Japanese version   » Back

KEGG   DRUG: Hetacillin potassium
Entry
D02203                      Drug                                   
Name
Hetacillin potassium (JAN/USAN);
Hetacin-K (TN)
Formula
C19H22N3O4S. K
Exact mass
427.0968
Mol weight
427.559
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penicillin
 DG01780  Extended spectrum penicillin
Remark
Same as: C13980
ATC code: J01CA18
Chemical structure group: DG00532
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Comment
Active form of prodrug: Ampicillin [DR:D00204]
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Structure map
map07011  Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CA Penicillins with extended spectrum
     J01CA18 Hetacillin
      D02203  Hetacillin potassium (JAN/USAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00532  Hetacillin
      D02203  Hetacillin potassium
  DG01780  Extended spectrum penicillin
   DG00532  Hetacillin
    D02203  Hetacillin potassium
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    D02203  Hetacillin potassium (JAN/USAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00532  Hetacillin
  DG01780  Extended spectrum penicillin
   DG00532  Hetacillin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    DG00532  Hetacillin
Prodrugs [br08324.html]
 DG00532
Other DBs
CAS: 5321-32-4
PubChem: 7849263
ChEBI: 34789
LigandBox: D02203
NIKKAJI: J147.310G
LinkDB
KCF data

ATOM        28
            1   C1y C    23.0125  -14.8702
            2   C5x C    23.0125  -16.2751
            3   N1y N    24.4173  -16.2751
            4   C1y C    24.4173  -14.8702
            5   C1y C    25.7518  -16.6964
            6   C1z C    26.5945  -15.5725
            7   S2x S    25.7518  -14.4487
            8   C1a C    27.5780  -16.5559
            9   C1a C    27.5780  -14.5892
            10  C6a C    26.2434  -18.0309
            11  O6a O    27.6481  -18.0309 #-
            12  O6a O    25.4005  -19.1546
            13  N1y N    21.8184  -14.1678
            14  C5x C    20.6244  -14.8702
            15  O5x O    21.8184  -16.9774
            16  O5x O    20.6244  -16.2751
            17  C1y C    19.4049  -14.1727
            18  C8y C    18.2126  -14.8679
            19  N1x N    19.4049  -12.7715
            20  C8x C    16.9990  -14.1673
            21  C8x C    15.7857  -14.8679
            22  C8x C    15.7857  -16.2692
            23  C8x C    16.9990  -16.9698
            24  C8x C    18.2126  -16.2692
            25  C1z C    21.8179  -12.7402
            26  C1a C    22.8120  -11.7325
            27  C1a C    21.2729  -11.4600
            28  Z   K    29.2600  -18.0600 #+
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   17  19 1 #Up
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1
            27   13  25 1
            28   19  25 1
            29   25  26 1
            30   25  27 1

» Japanese version   » Back

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