Chinese name: Pregabalin
English name: Pregabalin
CAS: 148553-50-8
Molecular formula: C8H17NO2
MDL number: MFCD00917044
Molecular weight: 159.23
Appearance: white crystalline powder, [a] +10.5o (H2O C=1.001), melting point; 184-186 ℃
Melting point: 194-196°C
Specific rotation: D23 +10.52° (c = 1.06 in water)
Boiling point: 274.0±23.0 °C(Predicted)
Density: 0.997± 0.06g /cm3(Predicted)
Flash point: 9℃
Storage conditions: 2-8°C
Solubility: Deionized water: ≥10mg/mL
Acidity coefficient (pKa) : 4.23±0.10(Predicted)
Form: White powder
Water solubility: Soluble in water to 100mM
BCS Class: 1
InChI: InChI = 1 s/C8H17NO2 / c1-6 (2) 3 to 7 (5-9) 4 to 8 (10) 11 / h6-7 H, 3-5, 9 H2, 1-2 h3, (H, 10, 11)/t7 has - / m0 / s1
InChIKey: AYXYPKUFHZROOJ-ZETCQYMHSA-N
SMILES: C(O)(=O)C[c@@h](CN)CC(C)C
category
API: Antiepileptic and anticonvulsant