KEGG   DRUG: Clomegestone acetateHelp
Entry
D03550                      Drug                                   

Name
Clomegestone acetate (USAN)
Formula
C24H31ClO4
Exact mass
418.1911
Mol weight
418.9535
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Contraceptive
Comment
Progestin
Other DBs
CAS: 424-89-5
PubChem: 47205857
ChEMBL: CHEMBL2104126
LigandBox: D03550
NIKKAJI: J5.725H
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C    17.8485  -15.8189
            2   C5x C    17.8485  -17.1802
            3   C2x C    19.0274  -17.8610
            4   C2y C    20.2063  -17.1802
            5   C1z C    20.2063  -15.8189
            6   C1x C    19.0274  -15.1382
            7   C2y C    21.3854  -17.8610
            8   C2x C    22.5643  -17.1802
            9   C1y C    22.5643  -15.8189
            10  C1y C    21.3854  -15.1382
            11  C1y C    23.7432  -15.1382
            12  C1z C    23.7432  -13.7769
            13  C1x C    22.5643  -13.0962
            14  C1x C    21.3854  -13.7769
            15  C1x C    26.1012  -15.1382
            16  C1y C    26.1012  -13.7769
            17  C1z C    24.9222  -13.0962
            18  X   Cl   21.3879  -19.2223
            19  C1a C    27.2848  -13.0936
            20  C1a C    23.6808  -12.4156
            21  C1a C    20.2081  -14.4576
            22  O5x O    16.6695  -17.8610
            23  C5a C    24.9219  -11.6912
            24  C1a C    23.6703  -10.9687
            25  O5a O    26.1367  -10.9894
            26  O7a O    27.4647  -11.4862
            27  C7a C    28.6771  -12.1862
            28  C1a C    29.8895  -11.4862
            29  O6a O    28.6772  -13.5798
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    7  18 1
            22   16  19 1 #Down
            23   12  20 1 #Up
            24    5  21 1 #Up
            25    2  22 2
            26   17  23 1 #Up
            27   23  24 1
            28   23  25 2
            29   17  26 1 #Down
            30   26  27 1
            31   27  28 1
            32   27  29 2

» Japanese version   » Back

DBGET integrated database retrieval system