Name: Eperisone
SKU: 64840-90-0

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Basic Information

Molecular Structure:
CAS No.:	64840-90-0
Name:	Eperisone
Article Data:	4

Formula:	C₁₇H₂₅NO
Molecular Weight:	259.392
Synonyms:	(?à)-Eperisone;4'-Ethyl-2-methyl-3-piperidinopropiophenone;Eperisone;
Density:	0.994 g/cm³
Melting Point:	170-172oC
Boiling Point:	386.8 °C at 760 mmHg
Flash Point:	137.4 °C
PSA:	20.31000
LogP:	3.49160

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Specification

The IUPAC name of Eperisone is 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one. With the CAS registry number 64840-90-0, it is also named as 4'-Ethyl-2-methyl-3-piperidinopropiophenone. The classification codes are Anticonvulsants; Autonomic Agents; Calcium Channel Blockers; Cardiovascular Agents; Central Nervous System Agents; Membrane Transport Modulators; Muscle Relaxants, Central; Neuromuscular Agents; Parasympatholytics; Peripheral Nervous System Agents; Vasodilator Agents. And the other registry number is 124308-54-9. The formula is C₁₇H₂₅NO and molecular weight is 259.39.

The other characteristics of Eperisone can be summarized as: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 1.36; (6)ACD/BCF (pH 7.4): 34.08; (7)ACD/KOC (pH 5.5): 6.36; (8)ACD/KOC (pH 7.4): 159.05; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 79.69 cm³; (14)Molar Volume: 260.7 cm³; (15)Polarizability: 31.59×10^-24 cm³; (16)Surface Tension: 36.8 dyne/cm; (17)Enthalpy of Vaporization: 63.58 kJ/mol; (18)Vapour Pressure: 3.46E-06 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Tautomer Count: 7; (21)Exact Mass: 259.193614; (22)MonoIsotopic Mass: 259.193614; (23)Topological Polar Surface Area: 20.3; (24)Heavy Atom Count: 19; (25)Complexity: 275.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1ccc(cc1)CC)C(C)CN2CCCCC2
2. InChI:InChI=1/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
3. InChIKey:SQUNAWUMZGQQJD-UHFFFAOYAN