KEGG   COMPOUND: C13707Help
Entry
C13707                      Compound                               

Name
RU-0211;
Lubiprostone
Formula
C20H32F2O5
Exact mass
390.2218
Mol weight
390.4619
Structure
Mol fileKCF fileDB search
Remark
Same as: D04790
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AX Other drugs for constipation
     A06AX03 Lubiprostone
      D04790  Lubiprostone (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Irritable Bowel Syndrome Agents
   Lubiprostone
    D04790  Lubiprostone (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   235  Purgatives, clysters
    2359  Others
     D04790  Lubiprostone (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Other ion channels
   Chloride channel
    CLCN2
     D04790  Lubiprostone (JAN/USAN/INN) <JP/US>
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D04790
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D04790
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04790
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04790
BRITE hierarchy
Other DBs
CAS: 333963-40-9
PubChem: 586296
ChEBI: 34945
ChEMBL: CHEMBL1201134
NIKKAJI: J2.581.749D
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    18.4149  -16.4208
            2   C5x C    18.4149  -17.8241
            3   C1x C    19.7481  -18.2451
            4   C1y C    20.5900  -17.1225
            5   C1y C    19.7481  -15.9998
            6   C1b C    17.2221  -15.7192
            7   C1b C    15.9592  -16.4208
            8   O5x O    17.2221  -18.5258
            9   O2x O    21.9933  -17.1225
            10  C1z C    22.6950  -15.9297
            11  C1x C    21.9933  -14.7369
            12  C1x C    20.5900  -14.7369
            13  C1b C    14.7664  -15.7192
            14  C1b C    13.5034  -16.4208
            15  C1b C    12.3808  -15.7192
            16  C1b C    11.1880  -16.4208
            17  C6a C     9.9952  -15.7192
            18  O6a O     8.8024  -16.4208
            19  O6a O     9.9952  -14.3159
            20  O1a O    23.6773  -16.9120
            21  C1d C    23.6773  -14.8772
            22  C1b C    24.8701  -15.5789
            23  C1b C    26.0629  -14.8772
            24  C1b C    27.3258  -15.5789
            25  C1a C    28.5186  -14.8772
            26  X   F    24.6596  -13.8949
            27  X   F    22.6950  -13.8949
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Down
            7     6   7 1
            8     2   8 2
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12   5 1
            14    7  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21   10  20 1 #Up
            22   10  21 1 #Down
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   21  26 1
            28   21  27 1

» Japanese version

DBGET integrated database retrieval system