Securinine , 95% , 5610-40-2

CAS NO.：5610-40-2

Empirical Formula: C13H15NO2

Molecular Weight: 217.26

MDL number: MFCD00867422

EINECS: 694-738-6

PRODUCT Properties

• Melting point: 140-1420C
• alpha: D20 -1042° (c = 1 in alc)
• Boiling point: 357.82°C (rough estimate)
• Density: 1.30±0.1 g/cm3 (20 ºC 760 Torr)
• refractive index: 1.5300 (estimate)
• storage temp.: Sealed in dry,2-8°C
• solubility: DMSO: ≥25mg/mL
• pka: 8.29±0.20(Predicted)
• form: powder
• color: yellow
• optical activity: [α]/D -980 to -1015 (C=1, MeOH)
• InChI: InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1
• InChIKey: SWZMSZQQJRKFBP-WZRBSPASSA-N
• SMILES: N12CCCC[C@]1([H])[C@]13C[C@@]2([H])C=CC1=CC(=O)O3

Description and Uses

A constituent of the leaves of Securinega suffructicosa Rehd., the base also occurs in Phyllanthus disco ides. It is obtained as yellow crystals and is strongly laevorotatory having [α]²⁰_D - 1106°(CHC1₃), [α]³⁰_D - 1106°(CHC1₃) and[α]²⁰_D - 1042° (c 1.0, EtOH). The alkaloid yields a crystalline methiodide, m.p. 235-6°C.

Extracted from leaves and roots of Securinega suffruticosa Rehder. The most widely studied of these alkaloids, Securinine, is a specific GABA receptor antagonist and has been found to have significant in vivo CNS activity.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H301
• Precautionary statements: P264-P270-P301+P310-P405-P501
• Hazard Codes: T,Xn
• Risk Statements: 23/24/25-22
• Safety Statements: 36/37/39-45
• WGK Germany: 3
• RTECS: VS4115000