Ketcher 02232411182D 1 1.00000 0.00000 0 109103 0 1 0 999 V2000 31.3381 -14.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4814 -13.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1947 -13.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3381 -15.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6247 -14.3482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7681 -13.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9115 -14.3482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7681 -12.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4814 -12.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3381 -12.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3381 -11.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1947 -10.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4814 -10.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0548 -13.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1981 -14.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3416 -13.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1981 -15.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0548 -12.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1981 -12.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1981 -11.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0548 -10.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3416 -10.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3416 -9.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1981 -9.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1739 -8.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0790 -9.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4345 -9.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5779 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7212 -9.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8645 -9.8634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0079 -9.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1513 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0079 -8.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2946 -9.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4380 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5813 -9.3594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4380 -10.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7247 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8680 -9.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0114 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1547 -9.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2981 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4414 -9.3594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2981 -10.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1547 -11.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4414 -11.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5848 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 -9.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5848 -10.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8715 -9.8634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 -8.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0149 -9.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1582 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0149 -8.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5848 -7.8477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5848 -6.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4414 -6.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 -6.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2981 -6.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2051 -6.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2051 -5.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3485 -4.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4414 -5.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0618 -4.8243 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 15.0618 -3.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9184 -4.3204 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2051 -3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3015 -9.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 -9.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5883 -9.3594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 -10.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3015 -11.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5883 -11.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0843 -6.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0766 -6.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5883 -7.3438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 -7.3438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7159 -8.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7159 -7.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 -9.3594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 -7.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 -8.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0843 -10.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0766 -10.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0922 -6.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 -6.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0609 -6.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -5.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -7.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 -10.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -10.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -9.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 -11.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 -6.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5949 -7.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6053 -5.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0618 -2.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9345 -3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9346 -5.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7993 -4.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8073 -5.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9345 -6.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4424 -8.4059 0.0000 Ga 0 0 0 0 0 0 0 0 0 0 0 0 10.5254 -15.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5669 -15.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7585 -14.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1060 -15.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4416 -14.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1060 -14.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 8 2 0 0 0 2 9 1 1 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 11 13 2 0 0 0 7 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 15 17 2 0 0 0 14 18 1 6 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 20 22 1 0 0 0 23 22 1 6 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 23 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 31 33 2 0 0 0 32 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 35 37 2 0 0 0 36 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 42 44 1 6 0 0 44 45 1 0 0 0 44 46 2 0 0 0 43 47 1 0 0 0 47 48 1 0 0 0 47 49 2 0 0 0 48 50 1 0 0 0 48 51 1 6 0 0 50 52 1 0 0 0 52 53 1 0 0 0 52 54 2 0 0 0 51 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 56 58 2 0 0 0 57 59 2 0 0 0 59 60 1 0 0 0 60 61 2 0 0 0 61 62 1 0 0 0 62 63 2 0 0 0 57 63 1 0 0 0 61 64 1 0 0 0 64 65 1 0 0 0 64 66 1 0 0 0 65 67 1 0 0 0 53 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 69 71 1 1 0 0 71 72 1 0 0 0 71 73 2 0 0 0 74 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 78 79 1 0 0 0 79 77 1 0 0 0 78 80 1 0 0 0 81 76 1 0 0 0 81 82 1 0 0 0 82 70 1 0 0 0 83 84 1 0 0 0 84 80 1 0 0 0 83 70 1 0 0 0 85 76 1 0 0 0 86 87 1 0 0 0 86 77 1 0 0 0 87 88 2 0 0 0 87 89 1 0 0 0 90 80 1 0 0 0 90 91 1 0 0 0 91 92 2 0 0 0 91 93 1 0 0 0 85 94 1 0 0 0 94 95 1 0 0 0 94 96 2 0 0 0 65 97 1 0 0 0 65 98 1 0 0 0 64 99 1 0 0 0 99100 1 0 0 0 99101 1 0 0 0 99102 1 0 0 0 M CHG 8 3 -1 12 -1 16 -1 26 -1 45 -1 72 -1 89 -1 93 -1 M CHG 8 95 -1 103 3 104 1 105 1 106 1 107 1 108 1 109 1 M ISO 1 66 18 M END > CHEBI:229675 > flotufolastat F-18 gallium > An 18F radiopharmaceutical which is used as a radioactive diagnostic agent for positron emission tomography (PET) of prostate-specific membrane antigen positive lesions in men with prostate cancer. > 3 > flotufolastat F18 gallium > gallium hydrogen (3S,7S,12R,26R)-26-{[N-{(4S)-4-carboxylato-4-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoyl}-3-(4-{di-tert-butyl[((18)F)fluoro]silyl}benzamido)-D-alanyl]amino}-5,10,17,20-tetraoxo-4,6,11,16,21-pentaazahexacosane-1,3,7,12,26-pentacarboxylate (1:6:1) > Posluma > C63H90[18F]N12O25Si.Ga.H.H.H.H.H.H > 1537.329 > 1535.56440 > 0 > [H+].[H+].[H+].[H+].[H+].[H+].[Ga+3].CC(C)(C)[Si]([18F])(C1=CC=C(C=C1)C(=O)NC[C@@H](NC(=O)CC[C@H](N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C([O-])=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)C(C)(C)C > InChI=1S/C63H99FN12O25Si.Ga/c1-62(2,3)102(64,63(4,5)6)39-14-12-38(13-15-39)54(89)67-34-44(69-49(80)20-18-45(60(99)100)76-32-30-74(36-52(85)86)28-26-73(35-51(83)84)27-29-75(31-33-76)37-53(87)88)55(90)70-41(57(93)94)10-7-8-24-65-46(77)21-22-47(78)66-25-9-11-40(56(91)92)68-48(79)19-16-42(58(95)96)71-61(101)72-43(59(97)98)17-23-50(81)82;/h12-15,40-45H,7-11,16-37H2,1-6H3,(H,65,77)(H,66,78)(H,67,89)(H,68,79)(H,69,80)(H,70,90)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H2,71,72,101);/q;+3/p-3/t40-,41-,42+,43+,44-,45+;/m1./s1/i64-1; > OJPQWJNFDOFXTN-WRFPGERRSA-K > 2305081-64-3 > D12606 > 37439946 $$$$