KEGG   COMPOUND: C07871Help
Entry
C07871                      Compound                               

Name
Difenoxin
Formula
C28H28N2O2
Exact mass
424.2151
Mol weight
424.5341
Structure
Mol fileKCF fileDB search
Remark
Same as: D03809
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07D ANTIPROPULSIVES
    A07DA Antipropulsives
     A07DA04 Difenoxin
      D03809  Difenoxin (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D03809  Difenoxin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 28782-42-5
PubChem: 10073
ChEBI: 4534
ChEMBL: CHEMBL1201321
NIKKAJI: J21.376D
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1d C    35.7762  -22.3372
            2   C8y C    34.6173  -23.0126
            3   C8y C    36.9352  -23.0185
            4   C1b C    35.7822  -20.9975
            5   C3b C    34.2795  -21.5158
            6   C8x C    34.6173  -24.3522
            7   C8x C    33.4584  -22.3372
            8   C8x C    36.9294  -24.3522
            9   C8x C    38.1000  -22.3372
            10  C1b C    36.9411  -20.3279
            11  N3a N    32.7538  -20.6947
            12  C8x C    33.4584  -25.0219
            13  C8x C    32.2995  -23.0126
            14  C8x C    38.0941  -25.0219
            15  C8x C    39.2530  -23.0185
            16  N1y N    36.9411  -18.9884
            17  C8x C    32.2995  -24.3522
            18  C8x C    39.2530  -24.3579
            19  C1x C    38.1058  -18.3302
            20  C1x C    35.7822  -18.3302
            21  C1x C    38.1058  -16.9850
            22  C1x C    35.7822  -16.9850
            23  C1z C    36.9411  -16.3094
            24  C6a C    38.1535  -15.6094
            25  C8y C    35.7287  -15.6094
            26  C8x C    35.7286  -14.2103
            27  C8x C    34.5162  -13.5103
            28  C8x C    33.3038  -14.2103
            29  C8x C    33.3038  -15.6094
            30  C8x C    34.5162  -16.3094
            31  O6a O    39.3636  -16.3080
            32  O6a O    38.1535  -14.2100
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 3
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15   10  16 1
            16   12  17 1
            17   14  18 2
            18   16  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   13  17 2
            24   15  18 1
            25   22  23 1
            26   23  24 1
            27   23  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   24  31 1
            35   24  32 2

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