Ketcher 09031508332D 1 1.00000 0.00000 0 44 47 0 1 0 999 V2000 5.9534 -9.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0871 -10.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0871 -11.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 -11.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 -10.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 -9.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5517 -11.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5517 -10.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5517 -8.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 -8.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 -9.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 -8.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 -8.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 -10.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9568 -9.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -11.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 -10.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 -10.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 -11.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2839 -11.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 -11.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0162 -11.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8807 -11.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8714 -12.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0006 -13.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9913 -14.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1207 -14.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2611 -14.2341 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2742 -13.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3884 -14.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5291 -14.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6565 -14.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7969 -14.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 -14.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3081 -13.3294 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3081 -13.3164 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 -14.1663 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 -15.6776 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6278 -7.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 -7.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5555 -9.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 -15.1499 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 1 6 2 0 0 0 7 6 1 0 0 0 6 5 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 7 12 1 0 0 0 7 10 1 0 0 0 10 13 1 0 0 0 11 12 1 0 0 0 11 14 1 0 0 0 15 14 1 0 0 0 14 13 1 0 0 0 13 16 1 0 0 0 16 17 1 0 0 0 15 17 1 0 0 0 3 18 1 0 0 0 7 19 1 6 0 0 13 20 1 6 0 0 9 21 1 6 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 35 38 1 0 0 0 36 39 1 0 0 0 36 40 1 0 0 0 15 41 1 1 0 0 14 42 1 1 0 0 10 43 1 1 0 0 36 44 1 0 0 0 M END > CHEBI:31638 > fulvestrant > A 3-hydroxy steroid that is 17?-estradiol in which the 7? hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. > 3 > CHEBI:87729 > ICI-182780; ICI 182780; (7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol > 7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol > fulvestrantum; fulvestrant; fulvestrant; fulvestrant > Faslodex > C32H47F5O3S > 606.773 > 606.31661 > 0 > C=1C=C(C=C2C1[C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3([C@@H](C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)[H])[H])O)C)[H])O > InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 > VWUXBMIQPBEWFH-WCCTWKNTSA-N > 129453-61-8 > 129453-61-8 > DB00947 > D01161 > LSM-6504 > Fulvestrant > 18683044; 19369092; 21319872; 21699443; 25720568 $$$$