(-)-Isoreserpine
[CAS# 482-85-9]

Identification

• Name: (-)-Isoreserpine
• Synonyms: Chemdiv1_007189; Mepireserpate; 20.Alpha.-Yohimban-16.Beta.-Carboxylic Acid, 18.Beta.-Hydroxy-11,17.Alpha.-Dimethoxy-, Methyl Ester, 3,4,5-Trimethoxybenzoate (Ester)
• Molecular Formula: C₃₃H₄₀N₂O₉
• Molecular Weight: 608.69
• CAS Registry Number: 482-85-9
• SMILES: C1=CC(=CC6=C1C5=C(C4N(CC3CC(OC(C2=CC(=C(OC)C(=C2)OC)OC)=O)C(C(C3C4)C(OC)=O)OC)CC5)[NH]6)OC
• InChI: 1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3
• InChIKey: QEVHRUUCFGRFIF-UHFFFAOYSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 700.058°C at 760 mmHg (Cal.)
• Flash point: 377.182°C (Cal.)
• solubility: Soluble to 100 mM in DMSO

References

• (1): Manthena V. S. Varma, Khandavilli Sateesh, and Ramesh Panchagnula. Functional Role of P-Glycoprotein in Limiting Intestinal Absorption of Drugs: Contribution of Passive Permeability to P-Glycoprotein Mediated Efflux Transport, Mol. Pharmaceutics 2005, 2(1), 12-21.