Ketcher 01121616502D 1 1.00000 0.00000 0 74 77 0 1 0 999 V2000 11.4214 -9.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2939 -10.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5489 -10.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4214 -8.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -9.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0088 -10.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8660 -9.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0089 -11.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 -1.5965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 -2.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7306 -3.1580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -2.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -1.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7306 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -2.9566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -1.2942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7306 -0.1356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -3.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4003 -4.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 -4.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9694 -3.9640 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4003 -5.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8326 -4.4816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9694 -2.9575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8411 -3.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8411 -2.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9848 -1.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9848 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8411 -0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6975 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6975 -1.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8326 -5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6889 -5.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9764 -5.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5454 -5.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6889 -7.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4016 -5.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2580 -5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4016 -7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8622 -9.6169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8622 -10.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -11.1783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -10.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -9.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -9.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -10.9769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0861 -10.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -9.3146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -8.1559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -11.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -12.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2951 -11.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0507 -12.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9574 -11.9844 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -13.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8207 -12.5019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9574 -10.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8291 -11.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8291 -10.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9728 -9.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9728 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8291 -8.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6854 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6854 -9.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8207 -13.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6770 -14.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9643 -14.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5334 -13.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6770 -15.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3897 -14.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2460 -13.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3897 -15.0204 0.0000 C 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 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 8 2 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 13 17 1 0 0 0 14 18 1 0 0 0 15 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 20 24 1 6 0 0 23 25 1 1 0 0 23 26 2 0 0 0 23 27 1 6 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 28 33 1 0 0 0 25 34 1 0 0 0 34 35 1 0 0 0 34 36 1 6 0 0 35 37 1 0 0 0 35 38 2 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 39 41 1 0 0 0 42 43 2 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 42 47 1 0 0 0 45 48 1 0 0 0 48 49 1 0 0 0 49 50 2 0 0 0 46 50 1 0 0 0 47 51 1 0 0 0 48 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 53 57 1 6 0 0 56 58 1 1 0 0 56 59 2 0 0 0 56 60 1 6 0 0 60 61 1 0 0 0 61 62 2 0 0 0 62 63 1 0 0 0 63 64 2 0 0 0 64 65 1 0 0 0 65 66 2 0 0 0 61 66 1 0 0 0 58 67 1 0 0 0 67 68 1 0 0 0 67 69 1 6 0 0 68 70 1 0 0 0 68 71 2 0 0 0 70 72 1 0 0 0 72 73 1 0 0 0 72 74 1 0 0 0 M END > CHEBI:90923 > tenofovir alafenamide fumarate > A fumarate salt prepared from tenofovir alafenamide by reaction of one molecule of fumaric acid for every two molecules of tenofovir alafenamide. A prodrug for tenofovir, it is used in combination therapy for the treatment of HIV-1 infection. > 3 > tenofovir alafenamide hemifumarate; TAF; GS-7340-03 > bis{propan-2-yl N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate} (2E)-but-2-enedioate; bis{9-[(2R,5S,7E)-2,7,10-trimethyl-5,8-dioxo-5-phenoxy-3,9-dioxa-6-aza-5lambda5-phosphaundecan-1-yl]-9H-purin-6-aminium} (2E)-but-2-enedioate > Vemlidy > C46H62N12O14P2 > 1069.006 > 1068.39837 > 0 > C(/C=C/C(O)=O)(O)=O.N1=CN=C2C(=C1N)N=CN2C[C@H](OC[P@](N[C@H](C(OC(C)C)=O)C)(=O)OC3=CC=CC=C3)C.N1=CN=C2C(=C1N)N=CN2C[C@H](OC[P@](N[C@H](C(OC(C)C)=O)C)(=O)OC3=CC=CC=C3)C > InChI=1S/2C21H29N6O5P.C4H4O4/c2*1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27;5-3(6)1-2-4(7)8/h2*5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*15-,16+,33+;/m11./s1 > SVUJNSGGPUCLQZ-FQQAACOVSA-N > 1392275-56-7 > 23336042 > 1392275-56-7 > DB09299 > D10605 > Tenofovir_alafenamide > 24289800; 25102336; 25134808; 25745115; 25965310; 26503655; 26640223; 26658300 $$$$