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
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

» Japanese version

  All links  
Drug (2)   
   KEGG DRUG (1)   
   CHEMBL (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
All databases (8)   

Download RDF
DBGET integrated database retrieval system