442 Mrv0541 02231214412D 20 22 0 0 1 0 999 V2000 5.0221 2.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6433 2.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -2.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -0.5766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -0.4155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -1.9044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.6530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -0.4155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2734 0.2076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0598 1.2862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2757 1.5425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7896 0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0584 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7281 1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4985 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 2 14 1 0 0 0 0 3 19 2 0 0 0 0 9 4 1 1 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 1 0 0 0 11 12 1 0 0 0 0 13 16 2 0 0 0 0 15 18 2 0 0 0 0 18 19 1 0 0 0 0 M END >
DB00442 >
drugbank >
NC1 =数控(= O) C2 = C (N1) N (C = N2) (C@H) 1C[C@H](O)[C@@H](CO)C1=C >
InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1 >
QDGZDCVAUDNJFG-FXQIFTODSA-N >
C12H15N5O3 >
277.2792 >
277.117489371 >
7 >
35 >
0.00012743347752814686 >
27.481306396759102 >
1 >
4 >
0 >
0 >
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one >
-0.81 >
-1.4446591723333337 >
-1.62 >
0 >
0 >
3 >
0 >
14.64341549857136 >
12.000797336514092 >
3.1377716562440154 >
125.75999999999999 >
71.0008 >
2 >
1 >
6.59e+00 g/l >
biotin >
0 >
DB00442 >
APRD00948 >
approved; investigational >
Entecavir >
Anhydrous entecavir; Entecavir; Entecavir (anhydrous); Entecavir anhydrous; Entecavirum >
Accel-entecavir; Apo-entecavir; Auro-entecavir; Baraclude; Entecavir; Entecavir Accord; Entecavir Mylan; Entecavir Tablets; Jamp Entecavir; Mint-entecavir; PMS-entecavir; Sandoz Entecavir; Truemed Group LLC >
Barcavir; Caavirel; Entaliv; Teviral >
Entecavir monohydrate; Entecavir triphosphate $$$$