KEGG   DRUG: D05456Help
Entry
D05456                      Drug                                   

Name
Phenolphthalein (INN);
Modane (TN)
Formula
C20H14O4
Exact mass
318.0892
Mol weight
318.3228
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Laxative
Remark
Same as: 
ATC code: 
Drug group: 
Comment
Component of Agoral (TN)
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AB Contact laxatives
     A06AB04 Phenolphthalein
      D05456  Phenolphthalein (INN)
BRITE hierarchy
Other DBs
CAS: 
77-09-8
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    11.9000  -13.6500
            2   C8y C    11.9000  -15.0500
            3   C8x C    13.0900  -15.7500
            4   C8x C    14.3500  -15.0500
            5   C8y C    14.3500  -13.6500
            6   C8x C    13.0900  -12.9500
            7   C8x C    16.7300  -15.0500
            8   C8y C    16.7300  -13.6500
            9   C1z C    15.5400  -12.9500
            10  C8x C    17.9900  -15.7500
            11  C8y C    19.1800  -15.0500
            12  C8x C    19.1800  -13.6500
            13  C8x C    17.9900  -12.9500
            14  O1a O    10.7100  -15.7500
            15  O1a O    20.3700  -15.7500
            16  O7x O    16.6600  -12.1100
            17  C7x C    16.1700  -10.7800
            18  C8y C    14.7700  -10.7800
            19  C8y C    14.4200  -12.1100
            20  C8x C    13.8600   -9.8000
            21  C8x C    12.4600  -10.0800
            22  C8x C    12.0400  -11.4100
            23  C8x C    13.0200  -12.4600
            24  O6a O    16.9708   -9.6316
BOND        27
            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    2  14 1
            16   11  15 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21    9  19 1
            22   18  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   19  23 2
            27   17  24 2

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