KEGG   COMPOUND: C07268
Entry
C07268                      Compound                               
Name
Nitrofurantoin
Formula
C8H6N4O5
Exact mass
238.0338
Mol weight
238.16
Structure
Remark
Same as: D00439
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XE Nitrofuran derivatives
     J01XE01 Nitrofurantoin
      D00439  Nitrofurantoin (JAN/USP/INN) <US>
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Nitrofurantoin
    D00439  Nitrofurantoin (JAN/USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01553  5-Nitrofuran antibacterial
   DG01552  Hydantoin type nitrofuran
    D00439  Nitrofurantoin
Antimicrobials [BR:br08307]
 Antibacterials
  Bactericidal action
   Hydantoin type nitrofuran
    D00439  Nitrofurantoin (JAN/USP/INN) <US>
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Bactericidal action
   Hydantoin type nitrofuran
    D00439  Nitrofurantoin (JAN/USP/INN)
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00439
Other DBs
CAS: 67-20-9
PubChem: 9477
ChEBI: 71415
PDB-CCD: U6Z[PDBj]
LinkDB
KCF data

ATOM        17
            1   C5x C    34.4400  -15.8900
            2   N1y N    34.4400  -17.3600
            3   N2b N    33.1800  -18.0600
            4   C2b C    31.9900  -17.3600
            5   C8y C    30.8000  -18.0600
            6   O2x O    29.6800  -17.2200
            7   C8y C    28.5600  -17.9900
            8   C8x C    28.9800  -19.3200
            9   C8x C    30.3800  -19.3200
            10  N2b N    27.3700  -17.2900 #+
            11  O3a O    26.1100  -17.9900 #-
            12  O3a O    27.3700  -15.8900
            13  C1x C    35.7700  -17.7800
            14  C5x C    36.6100  -16.5900
            15  N1x N    35.7700  -15.4700
            16  O5x O    33.3200  -15.0500
            17  O5x O    38.0100  -16.5900
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     5   9 2
            10    7  10 1
            11   10  11 1
            12   10  12 2
            13    2  13 1
            14   13  14 1
            15   14  15 1
            16    1  15 1
            17    1  16 2
            18   14  17 2

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