(2S,12betaS)-1,3,4,5',6,6',7,12beta-Octahydro-1',3'-Dimethyl-Spiro[2H-Benzofuro[2,3-a]Quinolizine-2,4'(1'H)-Pyrimidin]-2'(3'H)-One
[CAS# 111466-41-2]

Identification

• Name: (2S,12betaS)-1,3,4,5',6,6',7,12beta-Octahydro-1',3'-Dimethyl-Spiro[2H-Benzofuro[2,3-a]Quinolizine-2,4'(1'H)-Pyrimidin]-2'(3'H)-One
• Synonyms: 1',3'-Dimethylspiro[1,3,4,6,7,12B-Hexahydrobenzofurano[3,2-H]Quinolizine-2,4'-Hexahydropyrimidine]-2'-One; 1',3'-Dimethyl-2'-Spiro[1,3,4,6,7,12B-Hexahydrobenzofurano[3,2-H]Quinolizine-2,4'-Hexahydropyrimidine]One; Pdsp1_001652
• Molecular Formula: C₂₀H₂₅N₃O₂
• Molecular Weight: 339.44
• CAS Registry Number: 111466-41-2
• SMILES: C2=C1C5=C(OC1=CC=C2)C4N(CCC3(N(C(=O)N(CC3)C)C)C4)CC5
• InChI: 1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3
• InChIKey: JRDUBBHIPPPSLP-UHFFFAOYSA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Boiling point: 507.735°C at 760 mmHg (Cal.)
• Flash point: 260.869°C (Cal.)

References

• (1): Vilardaga et al.. Molecular basis of inverse agonism in a G protein coupled-receptor, Nature Chemical Biology, 2005