Ketcher 02202310312D 1 1.00000 0.00000 0 45 49 0 1 0 999 V2000 8.4522 -8.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4522 -9.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5853 -7.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5853 -9.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7185 -8.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7185 -9.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -7.7766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9924 -8.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -9.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9934 -8.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -9.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7345 -10.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6926 -10.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0439 -11.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0229 -11.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -9.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9849 -9.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 -9.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7135 -6.8246 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 -6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0646 -6.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3531 -5.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3949 -5.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -4.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -4.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0345 -3.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 -2.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 -4.0572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3858 -3.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6951 -2.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4067 -3.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8358 -2.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3321 -4.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6414 -3.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4573 -6.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6654 -7.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3323 -12.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3113 -12.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6207 -13.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5998 -13.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2695 -12.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9091 -14.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2486 -13.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8882 -14.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5579 -14.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 2 0 0 0 1 7 1 0 0 0 1 2 1 0 0 0 7 8 1 0 0 0 9 2 1 6 0 0 9 8 1 1 0 0 8 10 2 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 14 15 1 0 0 0 6 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 7 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 2 0 0 0 21 23 2 0 0 0 22 24 1 0 0 0 23 25 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 29 32 1 0 0 0 22 33 1 0 0 0 33 34 1 0 0 0 19 35 2 0 0 0 19 36 2 0 0 0 15 37 1 1 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 40 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 43 45 1 0 0 0 44 45 1 0 0 0 M END > CHEBI:194402 > satavaptan > A vasopressin V2 receptor antagonist that has been shown to improve hyponatremia in patients with cirrhosis, congestive heart failure, and syndrome of inappropriate antidiuresis. > 2 > SR121463; SR-121463; SR 121463 > N-tert-butyl-4-[5'-ethoxy-4-(2-morpholin-4-ylethoxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]sulfonyl-3-methoxybenzamide > satavaptanum; satavaptan; satavaptan; satavaptan > Aquilda > C33H45N3O8S > 643.800 > 643.29274 > 0 > CCOC1=CC=C2N(C(=O)[C@@]3(CC[C@@H](CC3)OCCN3CCOCC3)C2=C1)S(=O)(=O)C1=C(OC)C=C(C=C1)C(=O)NC(C)(C)C > InChI=1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)/t24-,33+ > QKXJWFOKVQWEDZ-VCCCEUOBSA-N > 185913-78-4 > DB14923 > Satavaptan > 10991964; 11890358; 24259510; 35972345; 8981918 $$$$