KEGG   COMPOUND: C13061
Entry
C13061                      Compound                               
Name
Acetylsulfamethoxazole
Formula
C12H13N3O4S
Exact mass
295.0627
Mol weight
295.3143
Structure
Remark
Same as: D01601
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01E SULFONAMIDES AND TRIMETHOPRIM
    J01EC Intermediate-acting sulfonamides
     J01EC01 Sulfamethoxazole
      D01601  Acetylsulfamethoxazole (JAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01785  Intermediate-acting sulfonamide
    DG02848  Sulfamethoxazole
     D01601  Acetylsulfamethoxazole
Antimicrobials [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Intermediate-acting sulfonamide
    D01601  Acetylsulfamethoxazole (JAN)
Other DBs
CAS: 21312-10-7
PubChem: 585125
ChEBI: 31169
NIKKAJI: J226.185E
LinkDB
KCF data

ATOM        20
            1   C8y C    26.8252  -18.4269
            2   S4a S    28.0378  -17.7228
            3   C8x C    26.8252  -19.8288
            4   C8x C    25.6183  -17.7228
            5   N1b N    29.2563  -18.4269
            6   C8x C    25.6183  -20.5267
            7   C8x C    24.4055  -18.4269
            8   C8y C    30.4690  -17.7228
            9   C8y C    24.4055  -19.8288
            10  C8x C    31.7919  -18.1513
            11  N5x N    30.4638  -16.3165
            12  N1b N    23.1872  -20.5267
            13  C8y C    32.6181  -17.0123
            14  O2x O    31.7847  -15.8845
            15  C5a C    21.9638  -19.8150
            16  C1a C    20.7358  -20.5185
            17  O5a O    21.9686  -18.3998
            18  O3c O    27.0611  -16.7565
            19  O3c O    29.0267  -16.7565
            20  C1a C    34.0070  -17.0060
BOND        21
            1     1   4 2
            2     2   5 1
            3     3   6 2
            4     4   7 1
            5     5   8 1
            6     6   9 1
            7     8  10 1
            8     8  11 2
            9     9  12 1
            10   10  13 2
            11   11  14 1
            12    7   9 2
            13   13  14 1
            14   12  15 1
            15    1   2 1
            16   15  16 1
            17    1   3 1
            18   15  17 2
            19    2  18 2
            20    2  19 2
            21   13  20 1

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