Ketcher 09102010112D 1 1.00000 0.00000 0 34 35 0 0 0 999 V2000 9.5184 -6.4489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0185 -4.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7097 -5.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0182 -4.9106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3272 -5.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9815 -7.4487 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 -4.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7317 -6.0692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3717 -4.3755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5184 -7.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 -5.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1157 -7.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2499 -7.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6586 -3.2169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3842 -7.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8457 -7.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9783 -6.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9815 -8.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7128 -7.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5756 -7.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4473 -7.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4458 -6.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8472 -8.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8472 -9.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7129 -10.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5787 -9.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3194 -7.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3194 -8.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1852 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1813 -8.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7129 -11.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8469 -11.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5786 -11.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7128 -12.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 5 1 1 0 0 0 10 1 1 0 0 0 3 2 2 0 0 0 7 2 1 0 0 0 4 2 1 0 0 0 8 3 1 0 0 0 5 4 2 0 0 0 12 6 1 0 0 0 14 7 1 0 0 0 9 7 2 0 0 0 11 8 2 0 0 0 11 9 1 0 0 0 15 10 1 0 0 0 13 12 1 0 0 0 15 13 1 0 0 0 6 16 1 0 0 0 6 17 2 0 0 0 6 18 1 0 0 0 16 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 18 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 21 27 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 27 30 1 0 0 0 25 31 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 M END > CHEBI:31175 > adefovir pivoxil > An organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection. > 3 > preveon; hepsera; GS-0840; GS 840; GS 0840; Adefovir dipivoxil; 9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine; 9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine; (((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoate > ({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphoryl)bis(oxymethanediyl) bis(2,2-dimethylpropanoate) > C20H32N5O8P > 501.477 > 501.19885 > 0 > CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C > InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23) > WOZSCQDILHKSGG-UHFFFAOYSA-N > 142340-99-6 > 29413415 > 142340-99-6 > DB00718 > D01655 > 10728465; 12099163; 25237370; 25493022; 25834334; 26082614; 26110616; 26427083; 26431662; 26447622; 26462447; 26885037; 26889227; 26908332; 27010143; 27079793; 27247753; 27301512; 27386642; 27664568; 27698751; 27877054; 27977591; 28123560; 30508954; 31919749; 32159854; 32406123 $$$$