KEGG   COMPOUND: C07872Help
Entry
C07872                      Compound                               

Name
Diphenoxylate
Formula
C30H32N2O2
Exact mass
452.2464
Mol weight
452.5873
Structure
Mol fileKCF fileDB search
Remark
Same as: D07861
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07D ANTIPROPULSIVES
    A07DA Antipropulsives
     A07DA01 Diphenoxylate
      D07861  Diphenoxylate (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07861  Diphenoxylate (INN)
BRITE hierarchy
Other DBs
CAS: 915-30-0
PubChem: 10074
ChEBI: 4639
ChEMBL: CHEMBL1201294
NIKKAJI: J7.167F
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8x C    25.9501  -19.4170
            2   C8x C    25.9501  -20.7876
            3   C8x C    27.1369  -21.4728
            4   C8x C    28.3239  -20.7876
            5   C8y C    28.3239  -19.4170
            6   C8x C    27.1369  -18.7318
            7   C8x C    30.6976  -20.7876
            8   C8y C    30.6976  -19.4170
            9   C1d C    29.5108  -18.7318
            10  C8x C    31.8846  -21.4728
            11  C8x C    33.0714  -20.7876
            12  C8x C    33.0714  -19.4170
            13  C8x C    31.8846  -18.7318
            14  C1b C    29.5108  -17.3613
            15  C1b C    30.6976  -16.6760
            16  C3b C    28.3239  -18.0465
            17  N3a N    27.1369  -17.3613
            18  N1y N    30.6976  -15.3055
            19  C1x C    31.8700  -14.6286
            20  C1x C    31.8699  -13.2581
            21  C1z C    30.6829  -12.5729
            22  C1x C    29.5106  -13.2498
            23  C1x C    29.5107  -14.6203
            24  C7a C    30.6828  -11.1940
            25  O6a O    29.4925  -10.5069
            26  O7a O    31.8663  -10.5106
            27  C8y C    28.4681  -11.3394
            28  C8x C    28.4681   -9.9689
            29  C8x C    27.2812   -9.2837
            30  C8x C    26.0944   -9.9689
            31  C8x C    26.0944  -11.3394
            32  C8x C    27.2812  -12.0247
            33  C1b C    33.0350  -11.1855
            34  C1a C    34.1981  -10.5139
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   15  14 1
            17    9  16 1
            18   16  17 3
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26   21  24 1
            27   24  25 2
            28   24  26 1
            29   21  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   27  32 1
            36   26  33 1
            37   33  34 1

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