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Xanthinol nicotinate
1. Basic Information
Name: Xanthinol nicotinate
Alias: Xanthinol niacinate, 7-[2-Hydroxy-3-(methylamino)propyl]theophylline nicotinate salt
CAS No.: 437-74-1
Molecular Formula: C13H21N5O3·C6H5NO2 = C19H26N6O5
Molecular Weight: 418.46
Category: Peripheral vasodilator API, cardiovascular pharmaceutical raw material, circulation improvement drug intermediate
2. Physical and Chemical Properties
Physical Properties
- Appearance: White to off-white crystalline powder
- Odor: Slight characteristic nicotinic acid odor, bitter taste
- Solubility: Freely soluble in water, methanol; soluble in ethanol; slightly soluble in acetone; insoluble in ether, chloroform
- Melting Point: 137–141 ℃
- Density (predicted): 1.31 g/cm3
- Hygroscopy: Slightly hygroscopic under high humidity
- Aqueous property: Weakly acidic aqueous solution, stable within pH 4–7
Chemical Properties
- Molecular structure: Ionic salt compound formed by xanthinol (theophylline derivative with methylamino alcohol side chain) and nicotinic acid
- Salt dissociation: Dissociates into xanthinol cation and nicotinate anion when dissolved in water
- Amine characteristic: Secondary amino group can form salts with various organic/inorganic acids
- Thermal stability: Stable below 110 ℃; long-term heating above melting point leads to partial decomposition and nicotinic acid volatilization
- Photostability: Light-sensitive, long-term UV irradiation turns faint yellow
- Compatibility: Compatible with neutral aqueous buffer, low-carbon alcohols; incompatible with strong oxidants, concentrated strong alkali
3. Main Application Fields
1. Peripheral Vasodilator API (Core Application)
Raw material for oral tablets, capsules; improves peripheral blood circulation, treats cerebral arteriosclerosis, peripheral circulatory disorders, intermittent claudication, retinal vascular insufficiency
2. Cardiovascular Pharmaceutical Intermediate
Precursor for other xanthine series blood circulation improving derivatives
3. Veterinary Drug Raw Material
Auxiliary circulation regulator for animal cardiovascular dysfunction formulations
4. Pharmacology Research Reagent
Standard substance for vasodilator activity screening laboratory experiments
4. Quality Specification Table
| Test Item | Standard Specification |
| CAS Number | 437-74-1 |
| Molecular Formula | C19H26N6O5 |
| Appearance | Uniform white crystal powder without yellow discoloration impurities |
| HPLC Purity | Pharma Grade ≥99.0% |
| Melting Point | 137–141 ℃ |
| Water Content (KF) | ≤0.30% |
| Residue on Ignition | ≤0.10% |
| Single Maximum Unknown Impurity | ≤0.05% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | 1kg/5kg vacuum aluminum foil bag, 25kg light-proof PE lined fiber drum |
| Storage Condition | Hermetically sealed cool dry warehouse below 25 ℃, full light shielding, isolate alkaline and oxidizing substances |
| Transportation Requirement | Light-sensitive pharmaceutical salt powder, moisture-proof sealed packaging |
| Shelf Life | 36 months under nitrogen vacuum sealed storage |
Safety Warning
Low-toxic irritant pharmaceutical crystalline powder. Dust irritates eyes, nasal tract and respiratory mucosa; long-term skin contact may cause mild itching. All operations must be carried out in ventilated fume hood with dust-proof respirator and nitrile gloves. Prescription cardiovascular raw material, excessive intake may cause flushing, tachycardia and gastrointestinal discomfort. Waste liquid neutralized before discharge; solid waste classified as purine pharmaceutical hazardous waste disposed by licensed professional institutions.
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