KEGG   COMPOUND: C13110Help
Entry
C13110                      Compound                               

Name
Propicillin potassium;
Brocillin
Formula
C18H21N2O5S. K
Exact mass
416.0808
Mol weight
416.533
Structure
Mol fileKCF fileDB search
Remark
Same as: D01649
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CE Beta-lactamase sensitive penicillins
     J01CE03 Propicillin
      D01649  Propicillin potassium (JAN)
BRITE hierarchy
Other DBs
CAS: 1245-44-9
PubChem: 585174
ChEBI: 32062
NIKKAJI: J8.776I
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    28.2465  -15.2155
            2   C5x C    28.2465  -16.6197
            3   N1y N    29.6507  -16.6197
            4   C1y C    29.6507  -15.2155
            5   C1y C    30.9846  -17.0409
            6   C1z C    31.8270  -15.9175
            7   S2x S    30.9846  -14.7941
            8   C1a C    32.8100  -16.9004
            9   C1a C    32.8100  -14.9345
            10  C6a C    31.4761  -18.3747
            11  O6a O    32.8800  -18.3747 #-
            12  O6a O    30.6334  -19.4980
            13  N1b N    27.0530  -14.5133
            14  C5a C    25.8595  -15.2155
            15  O5x O    27.0530  -17.3216
            16  O5a O    25.8595  -16.6197
            17  C1c C    24.6406  -14.5182
            18  O2a O    23.4487  -15.2132
            19  C8y C    22.2358  -14.5128
            20  C1b C    24.6346  -13.1539
            21  C8x C    22.2355  -13.0841
            22  C8x C    21.0235  -12.3846
            23  C8x C    19.8119  -13.0845
            24  C8x C    19.8121  -14.5133
            25  C8x C    21.0240  -15.2127
            26  C1a C    25.8449  -12.4480
            27  Z   K    34.3536  -18.4014 #+
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   18  19 1
            21   17  20 1
            22   19  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   19  25 1
            28   20  26 1

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