Marvin 03191216142D 32 36 0 0 1 0 999 V2000 7.2358 -7.2451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2359 -8.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9569 -6.8442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5147 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9571 -8.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5149 -8.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 -6.0192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6780 -7.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5507 -6.0172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6780 -8.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9571 -9.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 -9.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2357 -5.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6778 -5.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2688 -8.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6893 -9.6278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2361 -9.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5148 -7.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6779 -6.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8293 -5.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1013 -6.0066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3895 -5.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 -5.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -5.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3957 -4.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2551 -5.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5462 -5.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8185 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 -6.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 -6.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8522 -10.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 10 15 2 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 12 17 1 0 0 0 0 15 16 1 0 0 0 0 1 18 1 6 0 0 0 3 19 1 1 0 0 0 9 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 26 31 1 0 0 0 0 16 32 1 0 0 0 0 M END > CHEBI:64216 > metergoline > An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7. > 3 > Metergolin; D-8-beta-((Carboxyamino)methyl)-1,6-dimethylergoline benzyl ester; D-8-beta-((Carbobenzoxyamino)methyl)-1,6-dimethyl-10-alpha-ergoline; 1-Methyl-N-carbobenzyloxydihydro-D-lysergamin; 1-Methyl-8-beta-carbobenzyloxyaminomethyl-10-alpha-ergoline; 1,6-Dimethyl-8-beta-carbobenzyloxaminomethyl-10-alpha-ergoline; (+)-N-(Carboxy)-1-methyl-9,10-dihydrolysergamine benzyl ester; (((8-beta)-1,6-Dimethylergolin-8-yl)methyl)carbamic acid phenylmethyl ester; (((8-beta)-1,6-Dimethylergolin-8-yl)methyl)carbamic acid benzyl ester > benzyl {[(8alpha)-1,6-dimethylergolin-8-yl]methyl}carbamate > metergolinum; metergoline; metergolina > C25H29N3O2 > 403.51670 > 403.22598 > 0 > [H][C@@]12Cc3cn(C)c4cccc(c34)[C@@]1([H])C[C@@H](CNC(=O)OCc1ccccc1)CN2C > InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1 > WZHJKEUHNJHDLS-QTGUNEKASA-N > 17692-51-2 > 5362415 > 17692-51-2 > D07218 > LSM-3265 > 17692-51-2 > Metergoline > 18996971; 19484723; 19509219; 19538518; 19539656; 19632276; 19945477; 20377624; 20451398; 20845263; 21354537; 21475142; 21600959; 21880033; 22218419; 24134630 $$$$