541 Mrv0541 02231214452D 63 71 0 0 1 0 999 V2000 5.6185 -3.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 -2.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2773 -2.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1059 -3.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5551 -1.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7488 1.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6806 -4.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3863 0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3263 0.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9718 3.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -2.1136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1573 -1.2880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6815 4.0205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 1.4175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -1.7007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3710 -2.2738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6093 -3.0073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6413 -1.8611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8796 -2.5945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5693 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3637 -3.1676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1647 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3784 -1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8642 -3.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0933 -3.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 -2.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -3.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 -3.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9264 0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9420 -1.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4424 0.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 1.6969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8735 -4.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 1.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4225 2.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 2.6514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8784 0.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3215 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8905 -3.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1315 3.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 3.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 2.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1472 3.9219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4418 4.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 3.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 4.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2279 2.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5558 1.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5844 4.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 3.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3277 1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1971 5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7682 2.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -1.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 -1.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 3.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 6 0 0 0 1 37 1 0 0 0 0 19 2 1 6 0 0 0 3 29 1 0 0 0 0 3 43 1 0 0 0 0 4 29 2 0 0 0 0 5 33 2 0 0 0 0 6 35 1 0 0 0 0 6 52 1 0 0 0 0 7 37 2 0 0 0 0 8 41 1 0 0 0 0 8 58 1 0 0 0 0 9 41 2 0 0 0 0 47 10 1 1 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 11 27 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 12 33 1 0 0 0 0 13 45 1 0 0 0 0 13 48 1 0 0 0 0 13 50 1 0 0 0 0 14 39 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 6 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 61 1 1 0 0 0 17 21 1 0 0 0 0 17 24 1 1 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 62 1 6 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 23 1 0 0 0 0 22 26 1 0 0 0 0 22 30 2 0 0 0 0 24 31 1 0 0 0 0 25 28 2 0 0 0 0 26 32 2 0 0 0 0 27 28 1 0 0 0 0 30 34 1 0 0 0 0 32 35 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 36 41 1 1 0 0 0 37 42 1 0 0 0 0 38 40 1 0 0 0 0 39 46 2 0 0 0 0 40 44 1 0 0 0 0 40 45 1 0 0 0 0 40 63 1 1 0 0 0 44 47 1 0 0 0 0 46 49 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 54 1 0 0 0 0 49 50 1 0 0 0 0 51 53 1 0 0 0 0 51 55 2 0 0 0 0 53 56 2 0 0 0 0 54 57 1 0 0 0 0 55 59 1 0 0 0 0 56 60 1 0 0 0 0 59 60 2 0 0 0 0 M END > DB00541 > drugbank > [H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC > InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 > InChIKey=OGWKCGZFUXNPDA-XQKSVPLYSA-N > 9 > 88.58705315627984 > 1 > 3 > 824.399644032 > 0 > C46H56N4O10 > 0 > methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate > 3.36 > 3.128179157333334 > -4.44 > 824.9576 > 1 > 9 > 2 > 14.405141780055722 > 10.849017536198744 > 8.662524172947244 > 171.17000000000002 > 221.48039999999995 > 10 > 0 > 3.00e-02 g/l > vincristine > 0 > DB00541 > approved; investigational > Vincristine > 22-Oxovincaleukoblastin; Leurocristine; Vincristin; Vincristina; Vincristinum > Alcavixin; Alcrist; Citomid; Cytocristin; Marqibo; Oncocristin; Oncovin; Oncrivin; Sindovin; Tevacristin; Vinces; Vincrisin; Vincristin; Vincrisul; Vinlon; Vinracine > Vincristine Sulfate $$$$