KEGG   COMPOUND: C13976
Entry
C13976                      Compound                               
Name
Carfecillin sodium;
Carbenicillin phenyl sodium
Formula
C23H21N2O6S. Na
Exact mass
476.1018
Mol weight
476.4774
Structure
Remark
Same as: D02199
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AA Antibiotics
     G01AA08 Carfecillin
      D02199  Carbenicillin phenyl sodium (USAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00443  Carfecillin
      D02199  Carbenicillin phenyl sodium
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Other penicillin
    D02199  Carbenicillin phenyl sodium (USAN)
Prodrugs [br08324.html]
 D02199
Other DBs
CAS: 21649-57-0
PubChem: 854217
ChEBI: 34612
NIKKAJI: J11.179A
LinkDB
KCF data

ATOM        33
            1   C1y C    28.8492  -16.2573
            2   C5x C    28.8492  -17.6614
            3   N1y N    30.2534  -17.6614
            4   C1y C    30.2534  -16.2573
            5   C1y C    31.5888  -18.0954
            6   C1z C    32.4140  -16.9594
            7   S2x S    31.5888  -15.8233
            8   C1a C    33.4068  -17.9523
            9   C1a C    33.4068  -15.9665
            10  C6a C    32.0189  -19.4190
            11  O6a O    33.4229  -19.4190 #-
            12  O6a O    31.1909  -20.5584
            13  N1b N    27.6360  -15.5569
            14  C5a C    26.4228  -16.2573
            15  O5x O    27.6360  -18.3618
            16  C1c C    25.1930  -15.5472
            17  C7a C    23.9939  -16.2397
            18  O5a O    26.4227  -17.6517
            19  O7a O    22.8074  -15.5546
            20  O6a O    23.9937  -17.6515
            21  C8y C    21.6145  -16.2434
            22  C8y C    25.1930  -14.1498
            23  C8x C    26.4215  -13.4405
            24  C8x C    26.4214  -12.0396
            25  C8x C    25.2082  -11.3393
            26  C8x C    23.9797  -12.0487
            27  C8x C    23.9798  -13.4495
            28  C8x C    20.4247  -15.5565
            29  C8x C    19.2115  -16.2569
            30  C8x C    19.2115  -17.6577
            31  C8x C    20.4013  -18.3446
            32  C8x C    21.6145  -17.6442
            33  Z   Na   35.0002  -19.4601 #+
BOND        35
            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 1
            18   16  17 1
            19   14  18 2
            20   17  19 1
            21   17  20 2
            22   19  21 1
            23   16  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   21  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   21  32 1

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