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KEGG   COMPOUND: C11752
Entry
C11752                      Compound                               
Name
Carfecillin;
Carbenicillin phenyl
Formula
C23H22N2O6S
Exact mass
454.1199
Mol weight
454.50
Structure
Remark
ATC code: G01AA08
Drug group: DG00443
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
      C11752  Carfecillin
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00443  Carfecillin
      C11752  Carfecillin
Other DBs
CAS: 27025-49-6
PubChem: 13917
ChEBI: 3414
NIKKAJI: J10.419A
KCF data

ATOM        32
            1   C1y C    25.8235  -18.1363
            2   C5x C    25.8235  -19.5396
            3   N1y N    27.2269  -19.5396
            4   C1y C    27.2269  -18.1363
            5   C1y C    28.5615  -19.9733
            6   C1z C    29.3862  -18.8380
            7   S2x S    28.5615  -17.7026
            8   C1a C    30.3784  -19.8303
            9   C1a C    30.3784  -17.8457
            10  C6a C    28.9913  -21.2961
            11  O6a O    30.3945  -21.2961
            12  O6a O    28.1638  -22.4348
            13  N1b N    24.6110  -17.4363
            14  C5a C    23.3986  -18.1363
            15  O5x O    24.6110  -20.2396
            16  C1c C    22.1695  -17.4267
            17  C7a C    20.9711  -18.1187
            18  O5a O    23.3985  -19.5299
            19  O7a O    19.7853  -17.4340
            20  O6a O    20.9709  -19.5297
            21  C8y C    18.5932  -18.1224
            22  C8y C    22.1695  -16.0301
            23  C8x C    23.3973  -15.3212
            24  C8x C    23.3972  -13.9212
            25  C8x C    22.1847  -13.2213
            26  C8x C    20.9569  -13.9302
            27  C8x C    20.9570  -15.3302
            28  C8x C    17.4042  -17.4359
            29  C8x C    16.1917  -18.1359
            30  C8x C    16.1917  -19.5359
            31  C8x C    17.3808  -20.2224
            32  C8x C    18.5932  -19.5224
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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Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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