KEGG   COMPOUND: C12712Help
Entry
C12712                      Compound                               

Name
Carindacillin sodium;
Carbenicillin indanyl sodium
Formula
C26H25N2O6S. Na
Exact mass
516.1331
Mol weight
516.5413
Structure
Mol fileKCF fileDB search
Remark
Same as: D01283
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
     J01CA05 Carindacillin
      D01283  Carbenicillin indanyl sodium (USP)
BRITE hierarchy
Other DBs
CAS: 26605-69-6
PubChem: 583102
ChEBI: 31358
ChEMBL: CHEMBL1200991
NIKKAJI: J9.800K
LinkDB All DBs
KCF data Show

ATOM        36
            1   C1y C    29.8976  -16.2564
            2   C5x C    29.8976  -17.6604
            3   N1y N    31.3017  -17.6604
            4   C1y C    31.3017  -16.2564
            5   C1y C    32.6371  -18.0944
            6   C1z C    33.4622  -16.9585
            7   S2x S    32.6371  -15.8224
            8   C1a C    34.4550  -17.9513
            9   C1a C    34.4550  -15.9656
            10  C6a C    33.0672  -19.4179
            11  O6a O    34.4711  -19.4179 #-
            12  O6a O    32.2392  -20.5573
            13  N1b N    28.6845  -15.5561
            14  C5a C    27.4714  -16.2564
            15  O5x O    28.6845  -18.3608
            16  C1c C    26.2416  -15.5464
            17  C7a C    25.0426  -16.2388
            18  O5a O    27.4713  -17.6507
            19  O7a O    23.8562  -15.5538
            20  O6a O    25.0424  -17.6505
            21  C8y C    22.6633  -16.2425
            22  C8y C    26.2416  -14.1490
            23  C8x C    27.4701  -13.4398
            24  C8x C    27.4700  -12.0389
            25  C8x C    26.2568  -11.3387
            26  C8x C    25.0284  -12.0480
            27  C8x C    25.0285  -13.4488
            28  C8x C    21.4736  -15.5557
            29  C8y C    20.2605  -16.2560
            30  C8y C    20.2605  -17.6567
            31  C8x C    21.4502  -18.3436
            32  C8x C    22.6633  -17.6432
            33  C1x C    18.9283  -15.8231
            34  C1x C    18.1050  -16.9564
            35  C1x C    18.9283  -18.0896
            36  Z   Na   36.0483  -19.4590 #+
BOND        39
            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
            36   29  33 1
            37   33  34 1
            38   34  35 1
            39   30  35 1

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