Marvin 10051215082D 32 36 0 0 1 0 999 V2000 12.5273 -9.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5273 -10.3421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2417 -10.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9563 -10.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9563 -9.5171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2417 -9.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6707 -10.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3851 -10.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3851 -9.5171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6707 -9.1046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3851 -7.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6707 -8.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8128 -10.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -10.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4086 -10.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -9.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9563 -8.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6707 -9.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3851 -8.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0996 -7.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0996 -9.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8843 -8.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0996 -8.2796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0996 -9.1046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8843 -9.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3692 -8.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1393 -7.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5873 -6.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9463 -7.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8423 -5.8423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2013 -6.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6494 -5.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 9 24 1 0 0 0 0 23 11 1 0 0 0 0 11 12 1 0 0 0 0 10 12 1 0 0 0 0 2 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 5 17 1 1 0 0 0 10 18 1 6 0 0 0 9 19 1 1 0 0 0 23 20 1 1 0 0 0 24 21 1 6 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 28 27 1 0 0 0 0 29 27 2 0 0 0 0 30 28 2 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 32 31 2 0 0 0 0 22 27 1 0 0 0 0 M END > CHEBI:68639 > abiraterone acetate > A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo into abiraterone. Used for treatment of metastatic castrate-resistant prostate cancer. > 3 > 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate; (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate > 17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate > Zytiga > C26H33NO2 > 391.54570 > 391.25113 > 0 > [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])c1cccnc1)OC(C)=O > InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1 > UVIQSJCZCSLXRZ-UBUQANBQSA-N > 154229-18-2 > 7314563 > 154229-18-2 > D09701 > 15150570; 16809076; 18645193; 18957947; 19189435; 19470933; 19995520; 19995526; 20050017; 20159814; 20159823; 20159824; 20225998; 20465382; 20645691; 20805462; 21171672; 21243537; 21550166; 21632851; 21731216; 21743483; 21802835; 21804589; 21836546; 21896467; 21975570; 21985170; 22123334; 22130117; 22149426; 22184395; 22198164; 22291466; 22372727; 22430753; 22526411; 22752297; 22995653; 23020788; 23023354 $$$$