KEGG   COMPOUND: C13968Help
Entry
C13968                      Compound                               

Name
Cefamandole sodium
Formula
C18H17N6O5S2. Na
Exact mass
484.06
Mol weight
484.4845
Structure
Mol fileKCF fileDB search
Remark
Same as: D02191
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01D OTHER BETA-LACTAM ANTIBACTERIALS
    J01DC Second-generation cephalosporins
     J01DC03 Cefamandole
      D02191  Cefamandole sodium (JAN)
BRITE hierarchy
Other DBs
CAS: 30034-03-8
PubChem: 854209
ChEBI: 34614
ChEMBL: CHEMBL1360024
NIKKAJI: J26.445H
KCF data Show

ATOM        32
            1   C1y C    27.2692  -14.8820
            2   N1y N    27.2692  -16.2803
            3   C2y C    28.4801  -16.9792
            4   C2y C    29.6909  -16.2803
            5   C1x C    29.6909  -14.8820
            6   S2x S    28.4801  -14.1828
            7   C1y C    25.8709  -14.8820
            8   C5x C    25.8709  -16.2803
            9   N1b N    24.6601  -14.1828
            10  C5a C    23.4491  -14.8820
            11  O5a O    23.4491  -16.2803
            12  O5x O    24.6601  -16.9792
            13  C1c C    22.2381  -14.1828
            14  C1b C    30.9204  -16.9904
            15  C6a C    28.4801  -18.3772
            16  O6a O    27.2524  -19.0862
            17  O6a O    29.6740  -19.0667 #-
            18  C8y C    21.0078  -14.8937
            19  C8x C    19.7984  -14.1953
            20  C8x C    18.5889  -14.8937
            21  C8x C    18.5889  -16.2902
            22  C8x C    19.7984  -16.9884
            23  C8x C    21.0078  -16.2902
            24  O1a O    22.2381  -12.7800
            25  S2a S    32.1363  -16.2887
            26  C8y C    33.3469  -16.9879
            27  N5x N    33.7838  -18.3140
            28  N5x N    35.1831  -18.3119
            29  N5x N    35.6134  -16.9806
            30  N4y N    34.4803  -16.1598
            31  C1a C    34.4776  -14.7513
            32  Z   Na   31.1889  -19.0917 #+
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   13  24 1 #Up
            27   14  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   26  30 1
            34   30  31 1

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