Ketcher 05101811142D 1 1.00000 0.00000 0 32 35 0 1 0 999 V2000 2.4617 -6.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5957 -6.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -8.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0594 -7.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0594 -4.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -5.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8763 -6.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 -5.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5957 -7.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 -8.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 -8.2636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 -6.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 -5.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -5.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -4.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0594 -6.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0594 -5.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 -4.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 -7.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 -8.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -6.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -7.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -6.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -7.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 -3.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0102 -3.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7421 -3.4551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7421 -2.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6081 -1.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 -1.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8396 -5.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 12 1 0 0 0 2 9 1 0 0 0 9 11 1 0 0 0 11 19 1 0 0 0 19 12 1 0 0 0 23 12 1 0 0 0 19 3 1 0 0 0 3 4 1 0 0 0 4 16 1 0 0 0 23 16 1 0 0 0 16 21 1 0 0 0 6 23 1 0 0 0 5 6 1 0 0 0 5 14 1 0 0 0 21 14 1 0 0 0 18 14 1 0 0 0 21 7 1 0 0 0 18 8 1 0 0 0 7 8 1 0 0 0 9 10 2 0 0 0 12 13 1 1 0 0 14 15 1 1 0 0 16 17 1 1 0 0 18 25 1 0 0 0 19 20 1 6 0 0 21 22 1 6 0 0 23 24 1 6 0 0 25 27 1 0 0 0 25 26 2 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 31 1 0 0 0 18 32 1 6 0 0 M END > CHEBI:5062 > finasteride > An aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia. > 3 > (5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide > N-tert-butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide > finasteridum; finasteride; finasterida > C23H36N2O2 > 372.545 > 372.27768 > 0 > C1=CC(N[C@]2([C@]1([C@@]3([C@@](CC2)([C@]4([C@](CC3)([C@](CC4)(C(NC(C)(C)C)=O)[H])C)[H])[H])[H])C)[H])=O > InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1 > DBEPLOCGEIEOCV-WSBQPABSSA-N > 4269024 > 98319-26-7 > 4269024 > 98319-26-7 > DB01216 > D00321 > LSM-1999 > Finasteride > 15956333; 23552442 $$$$