Ketcher 10151816092D 1 1.00000 0.00000 0 33 37 0 1 0 999 V2000 16.9252 -7.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0745 -6.7981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2239 -7.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3733 -6.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4727 -7.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4727 -8.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3232 -8.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2239 -8.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6220 -8.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7714 -8.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4711 -7.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4704 -7.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1202 -8.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9208 -8.8996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 -8.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4190 -8.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4190 -7.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5183 -6.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6677 -7.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6677 -8.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5183 -8.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 -9.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7758 -6.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9252 -8.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7280 -6.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4778 -7.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4770 -7.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7765 -6.7981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0767 -5.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0775 -5.5972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2268 -8.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4756 -5.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2261 -5.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 3 8 1 0 0 0 6 9 1 0 0 0 10 9 1 1 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 1 0 0 10 14 1 0 0 0 15 16 1 0 0 0 15 13 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 16 21 1 0 0 0 15 22 1 6 0 0 23 1 1 6 0 0 1 24 2 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 25 30 1 0 0 0 27 31 2 0 0 0 28 23 1 0 0 0 32 33 1 0 0 0 29 33 1 0 0 0 32 23 1 0 0 0 M END > CHEBI:142418 > vibegron > A pyrrolopyrimidine obtained by formal condensation of the carboxy group of (6S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid with the amino group of (R)-[(2R,5S)-5-(4-aminobenzyl)pyrrolidin-2-yl](phenyl)methanol. It is a β3-adrenergic receptor agonist currently in clinical development for the treatment of patients with overactive bladder. > 3 > MK-4618 > (6S)-N-[4-({(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide > vibegronum; vibegron; vibegron; vibegron > Beova > C26H28N4O3 > 444.527 > 444.21614 > 0 > C(NC1=CC=C(C=C1)C[C@@H]2CC[C@@H](N2)[C@@H](C3=CC=CC=C3)O)([C@H]4N5C(C=CN=C5CC4)=O)=O > InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1 > DJXRIQMCROIRCZ-XOEOCAAJSA-N > 1190389-15-1 > 19541234 > 1190389-15-1 > D10433 > 26709102; 27965369; 29366513; 29752752 $$$$