S(-)-Eticlopride Hydrochloride
[CAS# 84226-12-0]

Identification

• Name: S(-)-Eticlopride Hydrochloride
• Synonyms: 5-Chloro-3-Ethyl-N-[[(2S)-1-Ethylpyrrolidin-2-Yl]Methyl]-2-Hydroxy-6-Methoxy-Benzamide; 5-Chloro-3-Ethyl-N-[[(2S)-1-Ethyl-2-Pyrrolidinyl]Methyl]-2-Hydroxy-6-Methoxybenzamide; Prestwick3_000932
• Molecular Formula: C₁₇H₂₅ClN₂O₃
• Molecular Weight: 340.85
• CAS Registry Number: 84226-12-0
• SMILES: [C@@H]1(N(CCC1)CC)CNC(=O)C2=C(OC)C(=CC(=C2O)CC)Cl
• InChI: 1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
• InChIKey: AADCDMQTJNYOSS-LBPRGKRZSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 430.823°C at 760 mmHg (Cal.)
• Flash point: 214.355°C (Cal.)

References

• (1): Carlsson et al.. Ligand discovery from a dopamine D3 receptor homology model and crystal structure, Nature Chemical Biology, 2011