Mrv0541 02231215032D 57 60 0 0 1 0 999 V2000 11.8740 -7.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8740 -6.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1658 -6.4995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1658 -5.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4158 -5.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7076 -5.6662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7076 -6.4995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4158 -6.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9993 -6.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9993 -5.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2911 -6.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5824 -8.1661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1658 -8.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2907 -7.7494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9989 -8.1661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9989 -8.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7906 -9.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1654 -10.1243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7490 -10.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9989 -11.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2907 -10.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9989 -12.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2907 -12.5407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5824 -12.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7072 -13.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1241 -13.8739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3324 -13.6656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7492 -14.2489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9575 -14.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7491 -13.2491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3325 -12.6657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1240 -12.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9573 -15.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3324 -14.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1239 -14.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3742 -15.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0407 -12.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9158 -11.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3325 -11.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9158 -10.4991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0826 -10.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3325 -9.7910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9158 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0826 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 -9.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1656 -11.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0827 -11.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9448 -13.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1657 -9.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5824 -10.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5824 -9.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2907 -6.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7223 -7.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4083 -8.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9984 -10.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4318 -9.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2484 -9.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 7 9 1 1 0 0 0 6 10 1 6 0 0 0 9 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 27 32 1 6 0 0 0 28 33 1 1 0 0 0 26 34 1 6 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 31 37 1 1 0 0 0 31 38 1 0 0 0 0 38 39 1 0 0 0 0 41 40 1 0 0 0 0 42 40 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 41 45 1 0 0 0 0 39 40 1 0 0 0 0 39 46 2 0 0 0 0 38 47 2 0 0 0 0 30 48 1 1 0 0 0 42 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 12 51 1 6 0 0 0 14 52 1 6 0 0 0 15 53 1 1 0 0 0 17 54 2 0 0 0 0 18 55 1 6 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 M END > DB00864 > drugbank > CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC > InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 > QJJXYPPXXYFBGM-LFZNUXCKSA-N > C44H69NO12 > 804.0182 > 803.481976677 > 11 > 126 > -0.0011065162346731814 > 87.90174240518854 > 0 > 3 > 0 > 0 > (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone > 3.19 > 5.594120193333334 > -5.30 > 1 > 0 > 4 > 0 > 14.074335233483517 > 9.95560061665388 > -2.937095707399786 > 178.35999999999996 > 215.62030000000004 > 7 > 0 > 4.02e-03 g/l > tetrahydrofolic acid > 0 > DB00864 > APRD00276; EXPT01437 > approved; investigational > Tacrolimus > Anhydrous tacrolimus; Tacrolimus; Tacrolimus anhydrous; Tacrolimus, anhydrous > Ach-tacrolimus; Advagraf; Apo-tacrolimus; Apo-tacrolimus Capsules; Astagraf XL; Envarsus; Envarsus Pa; Envarsus XR; Hecoria; Hyaluronic Acid Sodium Salt 1% / Niacinamide 4% / Tacrolimus 0.1%; Hyaluronic Acid Sodium Salt 1% / Tacrolimus 0.1% / Urea 20%; Jamp-tacrolimus; Leo Pharma - Tacrolimus; Modigraf; Niacinamide 4% / Tacrolimus 0.03%; Niacinamide 4% / Tacrolimus 0.1%; Prograf; Protopic; Sandoz Tacrolimus; Sandoz Tacrolimus XR; Tacforius; Tacrolimus; Tacrolimus 0.1%; Tacrolimus 0.1% In Pseudocatalase; Tacrus; Taro-tacrolimus; Validerm > Tacrolimus hydrate $$$$