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331741-94-7

Basic Information
CAS No.: 331741-94-7
Name: 2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-y l)ethoxy]phenyl]methyl]amino]acetic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 331741-94-7 (2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-y l)ethoxy]phenyl]methyl]amino]acetic acid)
Formula: C29H28N2O7
Molecular Weight: 516.551
Synonyms: BMS-298585;BMS298585;N-((4-methoxyphenoxy)carbonyl)-N-((4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)phenyl)methyl)glycine;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;Pargluva;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;Muraglitazar [USAN];
Density: 1.274 g/cm3
Melting Point: 123-125°C
Boiling Point: 736.4 °C at 760 mmHg
Flash Point: 399.2 °C
PSA: 120.12000
LogP: 4.81940
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Specification

The Muraglitazar, with the CAS registry number 331741-94-7, is also known as N-((4-methoxyphenoxy)carbonyl)-N-((4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)phenyl)methyl)glycine. It belongs to the product categories of Agro Products; Agonist; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C29H28N2O7 and molecular weight is 516.54. What's more, its IUPAC name is 2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid. Its classification codes are: (1)Peroxime Proliferator Activated (PPAR) Agonist; (2)Treatment of atherosclerosis; (3)Treatment of metabolic syndrome; (4)Treatment of mixed dyslipidemia; (5)Treatment of type II diabetes mellitus. It is a peroxisome proliferator-activated receptor agonist with affinity to PPARα and PPARγ.

Physical properties of Muraglitazar are: (1)ACD/LogP: 5.59; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 214.71; (6)ACD/BCF (pH 7.4): 4.6; (7)ACD/KOC (pH 5.5): 538.35; (8)ACD/KOC (pH 7.4): 11.52; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 100.33 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 138.91 cm3; (15)Molar Volume: 405.4 cm3; (16)Polarizability: 55.07×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.274 g/cm3; (19)Flash Point: 399.2 °C; (20)Enthalpy of Vaporization: 112.76 kJ/mol; (21)Boiling Point: 736.4 °C at 760 mmHg; (22)Vapour Pressure: 9.11E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CN(CC(=O)O)C(=O)OC4=CC=C(C=C4) OC
(2)InChI: InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
(3)InChIKey: IRLWJILLXJGJTD-UHFFFAOYSA-N