Marvin 04270612352D 35 38 0 0 0 0 999 V2000 -0.4623 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 -1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 -1.9897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 0.0728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6811 -0.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 0.4853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4623 0.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 0.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3956 0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 1.7228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9666 2.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3955 2.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 2.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 2.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 3.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 2.9603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 2.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 2.9603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 3.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 4.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3955 4.1978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3955 5.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 5.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 15 1 0 0 0 0 1 3 1 0 0 0 0 2 13 1 0 0 0 0 2 4 1 0 0 0 0 15 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 13 11 1 0 0 0 0 13 8 1 0 0 0 0 4 9 2 0 0 0 0 11 17 1 0 0 0 0 8 21 1 0 0 0 0 17 10 1 0 0 0 0 5 11 1 0 0 0 0 7 9 1 0 0 0 0 21 10 1 0 0 0 0 11 12 1 1 0 0 0 13 14 1 6 0 0 0 15 16 2 0 0 0 0 16 6 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 21 22 1 1 0 0 0 22 30 1 0 0 0 0 22 29 2 0 0 0 0 30 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 28 26 1 0 0 0 0 28 27 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > CHEBI:3286 > cabergoline > An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia. > 3 > Cabergoline; 1-ethyl-3-(3'-dimethylamionpropyl)-2-(6'-allylergoline-8'beta-carbonyl)urea; 1-[(6-allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)propyl]-3-ethylurea; 1-((6-allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea; (8R)-6-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide; (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-ergoline-8-carboxamide > (8beta)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide > cabergolinum; cabergoline; cabergolina > C26H37N5O2 > 451.60430 > 451.29473 > 0 > [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC > InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1 > KORNTPPJEAJQIU-KJXAQDMKSA-N > 6020775 > 81409-90-7 > 81409-90-7 > DB00248 > C08187 > D00987 > LSM-3939 > Cabergoline > 22075008; 22336848; 22740242; 23110560; 23743769 $$$$