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Name

2-Methyl-UR-12

IUPAC name

7-Methoxy-2-methyl-1-[2-(morpholin-4-yl)ethyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]-1H-indole-3-carboxamide

ID 4537 · Formula C₂₇H₃₉N₃O₃ · Molecular weight 453.617

Tags Cannabinoid

InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25-,27+/m1/s1

InChI Key XWGGGOMMJKYRJR-JRLVAEJTSA-N This stereoisomer Any stereoisomer

SMILES COc1cccc2c1n(CCN1CCOCC1)c(c2C(=O)N[C@H]1[C@@]2(C)CC[C@@H](C1(C)C)C2)C

ChemSpider 29341934
PubChem 91903172

Hynes, J; Leftheris, K; Wu, H; Pandit, C; Chen, P; Norris, DJ; Chen, B; Zhao, R; Kiener, PA; Chen, X; Turk, LA; Patil-Koota, V; Gillooly, KM; Shuster, DJ; McIntyre, KW. C-3 Amido-Indole cannabinoid receptor modulators Bioorg. Med. Chem. Lett., 2 Sep 2002, 12 (17), 2399–2402. 130 kB. https://doi.org/10.1016/S0960-894X(02)00466-3 #10a

Alam, RM; Keating, JJ. Adding more “spice” to the pot: A review of the chemistry and pharmacology of newly emerging heterocyclic synthetic cannabinoid receptor agonists Drug Test. Anal., 1 Mar 2020, 12 (3), 297–315. 2.8 MB. https://doi.org/10.1002/dta.2752 #68,69 Structure 71 has a single bond where a double bond belongs

Wrobleski, ST; Chen, P; Hynes; Lin, S; Norris, DJ; Pandit, CR; Spergel, S; Wu, H; Tokarski, JS; Chen, X; Gillooly, KM; Kiener, PA; McIntyre, KW; Patil-koota, V; Shuster, DJ; Turk, LA; Yang, G; Leftheris, K. Rational Design and Synthesis of an Orally Active Indolopyridone as a Novel Conformationally Constrained Cannabinoid Ligand Possessing Antiinflammatory Properties J. Med. Chem., 1 May 2003, 46 (11), 2110–2116. 112 kB. https://doi.org/10.1021/jm020329q #4b LC,MS,NMR

7 Dec 2019 · · Isomer Design