Marvin 07141017512D 102115 0 0 1 0 999 V2000 33.8429 -13.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8429 -15.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9947 -13.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6911 -13.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6911 -11.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5393 -13.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3875 -13.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5392 -15.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3875 -11.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2356 -13.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6779 -11.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6730 -13.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8297 -13.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9789 -13.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3170 -13.3644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.0204 -12.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1240 -11.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8300 -11.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9791 -11.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1382 -9.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8300 -9.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9824 -9.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9840 -7.7967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.8362 -7.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6840 -7.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6795 -9.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5308 -7.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3745 -7.7853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.1408 -7.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1348 -8.4563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.5342 -5.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2096 -7.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4108 -6.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4312 -8.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1591 -7.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1535 -6.4900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.0083 -5.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8613 -6.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0196 -8.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8645 -7.8289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.8808 -8.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4278 -9.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7496 -9.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1669 -9.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0019 -7.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.8060 -4.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7052 -5.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0046 -4.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8479 -3.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8485 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6931 -1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5384 -2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5466 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7029 -4.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0403 -6.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6727 -10.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2873 -23.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2824 -24.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4391 -25.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5883 -24.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9264 -24.6454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.6298 -23.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7334 -22.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4394 -22.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5885 -23.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7476 -21.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4394 -21.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5918 -20.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5934 -19.0777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.4456 -18.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2934 -19.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2889 -20.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1402 -18.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9839 -19.0662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.7502 -18.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7442 -19.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.1436 -17.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8190 -18.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0202 -17.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0406 -19.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7685 -19.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7629 -17.7709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6177 -17.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4707 -17.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6290 -19.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4739 -19.1099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4902 -20.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0372 -21.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3590 -21.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7763 -20.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6113 -18.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.4154 -16.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3146 -17.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6140 -15.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4572 -15.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4579 -13.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3025 -13.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1478 -13.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1560 -15.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3123 -15.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6497 -17.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2820 -21.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 1 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 17 20 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 11 12 2 0 0 0 0 18 11 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 17 19 1 0 0 0 0 25 27 1 1 0 0 0 18 19 2 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 23 29 1 0 0 0 0 19 14 1 0 0 0 0 22 30 1 1 0 0 0 27 31 2 0 0 0 0 18 21 1 0 0 0 0 32 33 1 0 0 0 0 33 36 1 0 0 0 0 35 34 1 0 0 0 0 34 32 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 40 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 39 1 0 0 0 0 35 44 1 6 0 0 0 39 45 1 1 0 0 0 33 46 2 0 0 0 0 38 47 2 0 0 0 0 37 48 1 6 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 49 1 0 0 0 0 32 55 1 1 0 0 0 32 28 1 0 0 0 0 21 56 1 6 0 0 0 63 66 1 0 0 0 0 66 68 1 0 0 0 0 67 68 1 0 0 0 0 57 58 2 0 0 0 0 64 57 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 67 72 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 63 65 1 0 0 0 0 71 73 1 1 0 0 0 64 65 2 0 0 0 0 73 74 1 0 0 0 0 59 60 2 0 0 0 0 69 75 1 0 0 0 0 65 60 1 0 0 0 0 68 76 1 1 0 0 0 73 77 2 0 0 0 0 64 67 1 0 0 0 0 78 79 1 0 0 0 0 79 82 1 0 0 0 0 81 80 1 0 0 0 0 80 78 1 0 0 0 0 81 82 1 0 0 0 0 81 85 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 86 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 85 1 0 0 0 0 81 90 1 6 0 0 0 85 91 1 1 0 0 0 79 92 2 0 0 0 0 84 93 2 0 0 0 0 83 94 1 6 0 0 0 94 95 1 0 0 0 0 95 96 2 0 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 98 99 1 0 0 0 0 99100 2 0 0 0 0 100 95 1 0 0 0 0 78101 1 1 0 0 0 78 74 1 0 0 0 0 67102 1 6 0 0 0 M END > CHEBI:59757 > dihydroergotamine tartrate > The L-(+)-tartaric acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the tartrate and the mesylate salts are used for the treatment of migraine and orthostatic hypotension. > 3 > dihydroergotamine L-tartrate; dihydroergotamine (R,R)-tartrate; bis(5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-methylergotaman-3',6',18-trione) (R-(R*,R*))-tartrate; 9,10-dihydroergotamine tartrate; 9,10-dihydroergotamine L-tartrate; 9,10-dihydroergotamine (R,R)-tartrate > Bis[(10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman] (2R,3R)-2,3-dihydroxybutanedioate > C70H80N10O16 > 1317.44160 > 1316.57538 > 0 > O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O > InChI=1S/2C33H37N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,23-,25-,26+,27+,32-,33+;1-,2-/m111/s1 > AYYQJUDESMECLY-QCMZQTNXSA-N > 10757774 > 5989-77-5 > 5989-77-5 > D07838 $$$$