KEGG   DRUG: EstrofurateHelp
Entry
D04069                      Drug                                   

Name
Estrofurate (USAN/INN)
Formula
C24H26O4
Exact mass
378.1831
Mol weight
378.4608
Structure
Mol fileKCF fileDB search
Class
Other
 DG01986  Estrogen
Efficacy
Replenisher (estrogen)
Comment
Estrogen
Interaction
Drug interaction
Other DBs
CAS: 10322-73-3
PubChem: 47206026
ChEMBL: CHEMBL2104224
LigandBox: D04069
NIKKAJI: J9.813B
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1y C    24.1913  -18.4624
            2   C2y C    23.0141  -19.1384
            3   C1z C    24.1971  -17.1106
            4   C1x C    26.5276  -18.4915
            5   C1y C    21.8429  -18.4449
            6   C2x C    23.0141  -20.4961
            7   C1x C    23.0375  -16.4229
            8   C1z C    25.3799  -16.4462
            9   C1a C    24.1913  -15.7528
            10  C1x C    26.5455  -17.1396
            11  C8y C    20.6600  -19.1268
            12  C1x C    21.8545  -17.0930
            13  C1x C    21.8312  -21.1662
            14  O1a O    25.5142  -15.0827
            15  C8y C    20.6543  -20.4844
            16  C8x C    19.4830  -18.4449
            17  C8x C    19.4830  -21.1603
            18  C8x C    18.2420  -19.1268
            19  C8y C    18.3058  -20.4844
            20  O7a O    17.1229  -21.1603
            21  C8y C    26.7750  -16.4462
            22  C7a C    15.8848  -20.4381
            23  C1a C    14.6846  -21.1239
            24  O6a O    15.8910  -19.0499
            25  C8x C    27.5871  -17.5647
            26  C8x C    28.9017  -17.1379
            27  O2x O    28.9021  -15.7557
            28  C8x C    27.5877  -15.3283
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1 #Up
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1
            24    8  21 1 #Down
            25   20  22 1
            26   22  23 1
            27   22  24 2
            28   21  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 1
            32   21  28 2

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