KEGG   COMPOUND: C19494Help
Entry
C19494                      Compound                               

Name
Oxyphenbutazone
Formula
C19H20N2O3
Exact mass
324.1474
Mol weight
324.3737
Structure
Mol fileKCF fileDB search
Remark
Same as: D08324
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19494  Oxyphenbutazone
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AA Butylpyrazolidines
     M01AA03 Oxyphenbutazone
      D08324  Oxyphenbutazone (INN)
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA04 Oxyphenbutazone
      D08324  Oxyphenbutazone (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC02 Oxyphenbutazone
      D08324  Oxyphenbutazone (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08324  Oxyphenbutazone (INN)
    PTGS2 (COX2)
     D08324  Oxyphenbutazone (INN)
BRITE hierarchy
Other DBs
CAS: 129-20-4
PubChem: 124490166
ChEBI: 76258
ChEMBL: CHEMBL1228
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1y C    29.7500  -16.6600
            2   C1b C    31.1500  -16.6600
            3   C5x C    28.9100  -15.5400
            4   N1y N    27.5800  -15.9600
            5   N1y N    27.5800  -17.3600
            6   C5x C    28.9100  -17.7800
            7   O5x O    29.3300  -19.1100
            8   O5x O    29.3300  -14.2800
            9   C8y C    23.9400  -13.8600
            10  C8x C    23.9400  -15.2600
            11  C8x C    25.1300  -15.9600
            12  C8y C    26.3900  -15.2600
            13  C8x C    26.3900  -13.8600
            14  C8x C    25.1300  -13.1600
            15  C8x C    23.9400  -18.0600
            16  C8x C    23.9400  -19.4600
            17  C8x C    25.1300  -20.1600
            18  C8x C    26.3900  -19.4600
            19  C8y C    26.3900  -18.0600
            20  C8x C    25.1300  -17.3600
            21  C1b C    31.8500  -15.4700
            22  C1b C    33.2500  -15.4700
            23  C1a C    33.9500  -14.2800
            24  O1a O    22.6800  -13.1600
BOND        26
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     3   8 2
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    9  14 1
            15   12   4 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   19   5 1
            23    2  21 1
            24   21  22 1
            25   22  23 1
            26    9  24 1

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