Mrv0541 04281312242D 54 60 0 0 0 0 999 V2000 -4.9205 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9205 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2061 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2061 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4916 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7771 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7771 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7771 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2925 0.7082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0627 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2226 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3495 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7771 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 1.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 1.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 2.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2189 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4214 -3.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1359 -4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1359 -5.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4214 -5.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -5.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 -3.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 -5.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -5.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -4.2723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2780 -2.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 -3.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 -3.8598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5636 -3.0348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7790 -4.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 -3.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7789 -2.7799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8504 -5.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -3.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 -2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 -4.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0645 -2.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 -1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8509 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.3570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 7 6 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 15 1 0 0 0 0 7 10 1 0 0 0 0 12 7 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 13 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 15 1 0 0 0 0 3 18 1 0 0 0 0 7 19 1 6 0 0 0 10 20 1 1 0 0 0 13 21 1 1 0 0 0 15 22 1 6 0 0 0 14 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 36 35 2 0 0 0 0 35 34 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 42 1 0 0 0 0 36 39 1 0 0 0 0 41 36 1 0 0 0 0 40 41 1 0 0 0 0 40 43 1 0 0 0 0 42 44 1 0 0 0 0 43 42 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 32 47 2 0 0 0 0 39 48 1 1 0 0 0 43 49 1 1 0 0 0 42 50 1 6 0 0 0 46 51 1 1 0 0 0 46 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 3 0 0 0 0 M END > DB08866 > drugbank > [H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H].[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 > InChI=1S/C23H32O3.C20H25NO2/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2;1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3;12,17-18,23H,2-10H2,1H3/t18-,19-,20+,21+,23+;17-,18+,19+,20-/m11/s1 > InChIKey=LRHSUZNWLAJWRT-GAJBHWORSA-N > 2 > 42.759905388475545 > 0 > 1 > 667.423673939 > 0 > C43H57NO5 > 0 > 2-[(10S,11S,14R,15S)-14-hydroxy-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1,6-dien-14-yl]acetonitrile (1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-yl pentanoate > 5.28 > 5.776299915666668 > -5.76 > 667.9164 > 1 > 8 > 0 > 10.327060684990943 > -5.448288518230446 > 46.53 > 102.88509999999998 > 6 > 0 > 6.17e-04 g/l > dienogest estradiol valerate > 0 > DB08866 > approved > Estradiol valerate/Dienogest > 17-hydroxy-3-oxo-19-nor-17α-pregna-4,9-diene-21-nitrile; 17α-cyanomethyl-17β-hydroxy-estra-4,9(10)-dien-3-one; 17β-Estradiol-17-valerate; pentanoate d'estra-1,3,5(10)-triène-3-ol-17β-yle > Delestrogen; Natazia ; Qlaira $$$$