KEGG   COMPOUND: C13967
Entry
C13967                      Compound                               
Name
Carbenicillin sodium;
Carbenicillin disodium
Formula
C17H16N2O6S. 2Na
Exact mass
422.0524
Mol weight
422.3633
Structure
Remark
Same as: D02190
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
     J01CA03 Carbenicillin
      D02190  Carbenicillin disodium (USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00519  Carbenicillin
      D02190  Carbenicillin disodium
  DG01780  Extended spectrum penicillin
   DG00519  Carbenicillin
    D02190  Carbenicillin disodium
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    D02190  Carbenicillin disodium (USP)
Other DBs
CAS: 4800-94-6
PubChem: 854208
ChEBI: 34609
NIKKAJI: J9.630J
LinkDB
KCF data

ATOM        28
            1   C1y C    28.1055  -16.3351
            2   C5x C    28.1055  -17.7206
            3   N1y N    29.4910  -17.7206
            4   C1y C    29.4910  -16.3351
            5   C1y C    30.8073  -18.1362
            6   C1z C    31.6384  -17.0279
            7   S2x S    30.8073  -15.9195
            8   C1a C    32.6083  -17.9977
            9   C1a C    32.6083  -16.0580
            10  C6a C    31.2921  -19.5217
            11  O6a O    32.6775  -19.5217 #-
            12  O6a O    30.4608  -20.6302
            13  N1b N    26.9279  -15.6423
            14  C5a C    25.7502  -16.3351
            15  O5x O    26.9279  -18.4134
            16  O5a O    25.7502  -17.7206
            17  C1c C    24.5033  -15.6423
            18  C6a C    23.2914  -16.3689
            19  C8y C    24.4797  -14.2179
            20  O6a O    22.0498  -15.6791 #-
            21  O6a O    23.3148  -17.7722
            22  C8x C    25.7227  -13.4722
            23  C8x C    25.6990  -12.0505
            24  C8x C    24.4559  -11.3603
            25  C8x C    23.2128  -12.1059
            26  C8x C    23.2366  -13.5277
            27  Z   Na   20.1041  -15.7105 #+
            28  Z   Na   34.0900  -19.6000 #+
BOND        28
            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
            21   18  20 1
            22   18  21 2
            23   19  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   19  26 1

» Japanese version

DBGET integrated database retrieval system