Ketcher 10072115072D 1 1.00000 0.00000 0 34 38 0 1 0 999 V2000 12.8867 -12.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0206 -13.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0206 -14.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8867 -14.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7526 -14.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7526 -13.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 -12.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 -14.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4847 -14.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4847 -13.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4847 -11.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 -11.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3507 -12.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3507 -11.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3018 -11.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3018 -12.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8896 -12.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1545 -14.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 -15.5287 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.3018 -10.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4358 -9.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1678 -9.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1678 -10.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3507 -10.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7526 -12.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0206 -12.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1455 -11.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0547 -12.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 -13.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3507 -13.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4847 -12.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0338 -11.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8998 -10.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0338 -12.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 1 6 1 0 0 0 7 6 1 0 0 0 6 5 1 0 0 0 5 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 13 1 0 0 0 7 10 1 0 0 0 12 7 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 2 0 0 0 8 19 1 0 0 0 15 20 1 0 0 0 20 21 1 0 0 0 20 22 2 0 0 0 15 23 1 6 0 0 14 24 1 1 0 0 6 25 1 1 0 0 2 26 1 0 0 0 1 26 1 0 0 0 1 27 1 1 0 0 2 28 1 1 0 0 7 29 1 6 0 0 13 30 1 6 0 0 10 31 1 1 0 0 23 32 1 0 0 0 32 33 1 0 0 0 32 34 2 0 0 0 M END > CHEBI:50743 > cyproterone acetate > A steroid ester resulting from the formal condensation of the carboxy group of acetic acid with the 17-hydroxy group of cyproterone. It is an antiandrogenic drug which has recently been recognized to promote the occurrence and growth of intracranial meningiomas. > 3 > CHEBI:336019; CHEBI:47297; CHEBI:31451 > SH 714; CYPROTERONE ACETATE; cyproterone 17alpha-acetate; Cyproterone 17-O-acetate; acetic acid (8R,9S,10S,13S,14S,17R)-17-acetyl-6-(S)-chloro-10,13-dimethyl-3-(R)-oxo-1,2,3,8,9,10,11,12,13,14,15,16,17,20-tetradecahydro-cyclopropa[1,2]cyclopenta[a]phenanthren-17-yl ester; 6-chloro-17-hydroxy-1alpha,2alpha-methylenepregna-4,6-diene-3,20-dione acetate; 6-chloro-1,2alpha-methylene-6-dehydro-17alpha-hydroxyprogesterone acetate; 6-chloro-1,2alpha-methylene-17alpha-hydroxy-Delta(6)-progesterone acetate; 17alpha-acetoxy-6-chloro-1alpha,2alpha-methylenepregna-4,6-diene-3,20-dione; 1,2alpha-methylene-6-chloro-pregna-4,6-diene-3,20-dione 17alpha-acetate; 1,2alpha-methylene-6-chloro-Delta(4,6)-pregnadien-17alpha-ol-3,20-dione acetate; 1,2alpha-methylene-6-chloro-17alpha-acetoxy-4,6-pregnadiene-3,20-dione; (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate; (1beta,2beta)-17-(acetyloxy)-6-chloro-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione > 6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclopropa[1,2]pregna-4,6-dien-17-yl acetate > Cyprostat; Apo-cyproterone; Androcur > C24H29ClO4 > 416.940 > 416.17544 > 0 > [H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@]12[H] > InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 > UWFYSQMTEOIJJG-FDTZYFLXSA-N > 2342172 > 427-51-0 > 427-51-0 > DB04839 > D01368 > CA4 > Cyproterone_Acetate > PMC7208009 > 11393581; 11551428; 14583927; 15063071; 16372511; 17167851; 17311914; 24134630; 30666456; 31197615; 31634588; 31815317; 32418729; 33055297; 33081822; 33392938; 33394263; 33536184; 33750846; 33989640; 34125226; 34176757; 34187864; 34196865; 34274044; 34592677; 34613529 $$$$