KEGG   DRUG: Algestone acetophenideHelp
Entry
D02809                      Drug                                   

Name
Algestone acetophenide (USAN);
Deladroxone (TN)
Formula
C29H36O4
Exact mass
448.2614
Mol weight
448.5937
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Contraceptive
Comment
Progestin
Other DBs
CAS: 24356-94-3
PubChem: 17396967
ChEBI: 49327
ChEMBL: CHEMBL2105993 CHEMBL3989742
LigandBox: D02809
NIKKAJI: J16.718E
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1x C     6.2319  -11.7916
            2   C5x C     6.2319  -13.1491
            3   C2x C     7.4075  -13.8276
            4   C2y C     8.5829  -13.1491
            5   C1z C     8.5829  -11.7916
            6   C1x C     7.4075  -11.1128
            7   C1x C     9.7586  -13.8276
            8   C1x C    10.9340  -13.1491
            9   C1y C    10.9340  -11.7916
            10  C1y C     9.7586  -11.1128
            11  C1y C    12.1097  -11.1128
            12  C1z C    12.1097   -9.7556
            13  C1x C    10.9340   -9.0770
            14  C1x C     9.7586   -9.7556
            15  C1x C    14.4607  -11.1128
            16  C1y C    14.4607   -9.7556
            17  C1z C    13.2852   -9.0770
            18  C1a C    12.1366   -8.3982
            19  C1a C     8.5799  -10.3951
            20  O5x O     5.0316  -13.8423
            21  C5a C    13.2848   -7.6535
            22  O5a O    12.0886   -6.9634
            23  C1a C    14.5063   -6.9479
            24  O2x O    14.4884   -8.3514
            25  O2x O    15.8841   -9.7472
            26  C1z C    15.8841   -8.3514
            27  C8y C    17.1737   -8.8855
            28  C1a C    16.5855   -7.1366
            29  C8x C    17.1737  -10.2855
            30  C8x C    18.3861  -10.9855
            31  C8x C    19.5985  -10.2855
            32  C8x C    19.5985   -8.8855
            33  C8x C    18.3861   -8.1855
BOND        38
            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 1
            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   12  18 1 #Up
            22    5  19 1 #Up
            23    2  20 2
            24   17  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   17  24 1 #Down
            28   16  25 1 #Down
            29   24  26 1
            30   25  26 1
            31   26  27 1
            32   26  28 1
            33   27  29 2
            34   29  30 1
            35   30  31 2
            36   31  32 1
            37   32  33 2
            38   27  33 1

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