Stiripentol (49763-96-4)

The IUPAC name of Stiripentol is (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol. With the CAS registry number 49763-96-4, it is also named as 4,4-Dimethyl-1-[(3,4-methylenedioxy)phenyl]-1-penten-3-ol. Besides, the product's categories are intermediates & fine chemicals and pharmaceuticals. It is white solid. Besides, its molecular formula is C₁₄H₁₈O₃ and its molecular weight is 234.29. In adition, this chemical is an anticonvulsant drug used in the treatment of epilepsy. It also may be used to treat refractory childhood epilepsy in conjunction with carbamazepine.

The other characteristics of Stiripentol can be summarized as: (1)EINECS: 256-480-9; (2)ACD/LogP: 3.39; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.39; (5)ACD/LogD (pH 7.4): 3.39; (6)ACD/BCF (pH 5.5): 223.18; (7)ACD/BCF (pH 7.4): 223.18; (8)ACD/KOC (pH 5.5): 1670.23; (9)ACD/KOC (pH 7.4): 1670.23; (10)H bond acceptors: 3; (11)H bond donors: 1; (12)Freely Rotating Bonds: 4; (13)Polar Surface Area: 27.69 Å²; (14)Index of Refraction: 1.578; (15)Molar Refractivity: 68.29 cm³; (16)Molar Volume: 205.5 cm³; (17)Polarizability: 27.07×10^-24cm³; (18)Surface Tension: 45.5 dyne/cm; (19)Density: 1.139 g/cm³; (20)Flash Point: 174.8 °C; (21)Melting Point: 73-74 °C; (22)Enthalpy of Vaporization: 64.54 kJ/mol; (23)Boiling Point: 365.4 °C at 760 mmHg; (24)Vapour Pressure: 5.54E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O1c2ccc(cc2OC1)/C=C/C(O)C(C)(C)C
(2)InChI:InChI=1/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+
(3)InChIKey:IBLNKMRFIPWSOY-FNORWQNLBD
(4)Std. InChI:InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+
(5)Std. InChIKey:IBLNKMRFIPWSOY-FNORWQNLSA-N

The toxicity data is as follows: