Marvin 10051216292D 29 33 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 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 21 1 0 0 0 0 20 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 5 14 1 1 0 0 0 10 15 1 6 0 0 0 9 16 1 1 0 0 0 20 17 1 1 0 0 0 21 18 1 6 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 25 24 1 0 0 0 0 26 24 2 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 29 28 2 0 0 0 0 19 24 1 0 0 0 0 M END > CHEBI:68642 > abiraterone > A 3β-sterol that is androsta-5,16-dien-3β-ol substituted at position 17 by a 3-pyridyl group. Administered as the O-acetate, it is used for treatment of metastatic castrate-resistant prostate cancer. > 3 > 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol; (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-ol > 17-(pyridin-3-yl)androsta-5,16-dien-3beta-ol > abiraterone > C24H31NO > 349.50900 > 349.24056 > 0 > [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])c1cccnc1 > InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 > GZOSMCIZMLWJML-VJLLXTKPSA-N > 154229-19-3 > 7309269 > 154229-19-3 > AER > Abiraterone > 21093995; 21239011; 21242338; 21326154; 21612468; 21729712; 21743442; 21807635; 21808270; 21857690; 21864180; 21864181; 21864182; 21878199; 22002259; 22170708; 22266943; 22331349; 22373884; 22402426; 22411952; 22451619; 22500680; 22611169; 22753664; 22763809; 22822591; 22915660; 23024987 $$$$