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| CAS No.: | 185428-18-6 |
|---|---|
| Name: | RIVOGLITAZONE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C20H19N3O4S |
| Molecular Weight: | 397.455 |
| Synonyms: | R-106056;5-[[4-[(6-methoxy-1-methyl-benzoimidazol-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione;Rivoglitazone;2,4-Thiazolidinedione, 5-((4-((6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy)phenyl)methyl)-;; |
| Density: | 1.41 g/cm3 |
| Boiling Point: | 669.3 °C at 760 mmHg |
| Flash Point: | 358.6 °C |
| PSA: | 107.75000 |
| LogP: | 3.38380 |
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- Total:20 Page 1 of 1 1
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Specification
This chemical is called Rivoglitazone [USAN], and its systematic name is 2,4-Thiazolidinedione, 5-((4-((6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy)phenyl)methyl)-. With the molecular formula of C20H19N3O4S, its molecular weight is 397.45. The CAS registry number of this chemical is 185428-18-6. Additionally, its classification code is Treatment of type II diabetes mellitus.
Other characteristics of the Rivoglitazone [USAN] can be summarised as followings: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 72.16; (6)ACD/BCF (pH 7.4): 8.99; (7)ACD/KOC (pH 5.5): 673.51; (8)ACD/KOC (pH 7.4): 83.88; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 98.96 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 106.5 cm3; (15)Molar Volume: 280.8 cm3; (16)Polarizability: 42.22×10-24cm3; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 358.6 °C; (20)Enthalpy of Vaporization: 98.36 kJ/mol; (21)Boiling Point: 669.3 °C at 760 mmHg; (22)Vapour Pressure: 8.89E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1NC(=O)SC1Cc4ccc(OCc2nc3ccc(OC)cc3n2C)cc4
2.InChI: InChI=1/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)
3.InChIKey: XMSXOLDPMGMWTH-UHFFFAOYAM