Explore 4′-HO-Ro22-3245 | TiHKAL

Exploring 4′-HO-Ro22-3245. To explore a different substance…

Name

4′-HO-Ro22-3245

IUPAC name

3-Chloro-4-(9-chloro-5H-pyrimido[5,4-d][2]benzazepin-7-yl)phenol

ID 3775 · Formula C₁₈H₁₁Cl₂N₃O · Molecular weight 356.205

InChI InChI=1S/C18H11Cl2N3O/c19-11-1-3-13-15(5-11)18(14-4-2-12(24)6-16(14)20)22-8-10-7-21-9-23-17(10)13/h1-7,9,24H,8H2

InChI Key YUJZUQCHSBXHES-UHFFFAOYSA-N This stereoisomer Any stereoisomer

SMILES Clc1ccc2c(c1)C(=NCc1c2ncnc1)c1ccc(cc1Cl)O

ChemSpider 23137239
PubChem 136079567

Currie, KS. Antianxiety Agents In Burger's Medicinal Chemistry and Drug Discovery; Abraham, DJ, Ed., John Wiley & Sons, Inc., 15 Jan 2003; pp 525–597. 2.7 MB. https://doi.org/10.1002/0471266949.bmc102 #45

5-HO-Ro22-3245

7 Dec 2019 · · Isomer Design