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| CAS No.: | 172152-36-2 |
|---|---|
| Name: | 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3H-benzoimidazole |
| Molecular Structure: | |
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| Formula: | C19H18N4O2S |
| Molecular Weight: | 366.4368 |
| Synonyms: | 1H-Benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(1H-pyrrol-1-yl)- (9CI);IY 81149;Ilaprazole; |
| EINECS: | 1308068-626-2 |
| Density: | 1.39 g/cm3 |
| Boiling Point: | 651 °C at 760 mmHg |
| Flash Point: | 347.5 °C |
| PSA: | 92.01000 |
| LogP: | 4.23910 |
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Specification
The Ilaprazole, with the CAS registry number 172152-36-2, is also known as 2-((RS)-((4-Methoxy-3-methylpyridin-2-yl)methyl)sulfinyl)-5-(1H-pyrrol-1-yl)-1H-benzimidazole. This chemical's molecular formula is C19H18N4O2S and molecular weight is 366.4368. Its systematic name is called 2-{[(4-methoxy-3-methylpyridin-2-yl)methyl]sulfinyl}-6-(1H-pyrrol-1-yl)-1H-benzimidazole. This chemical's classification codes are Anti-ulcer agents; Proton Pump Inhibitor (PPI). It is used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD)and duodenal ulcer.
Physical properties of Ilaprazole: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.62; (3)ACD/LogD (pH 7.4): 2.39; (4)ACD/BCF (pH 5.5): 56.65; (5)ACD/BCF (pH 7.4): 33.24; (6)ACD/KOC (pH 5.5): 610.61; (7)ACD/KOC (pH 7.4): 358.35; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.71; (12)Molar Refractivity: 102.83 cm3; (13)Molar Volume: 263.1 cm3; (14)Surface Tension: 59.8 dyne/cm; (15)Density: 1.39 g/cm3; (16)Flash Point: 347.5 °C; (17)Enthalpy of Vaporization: 95.94 kJ/mol; (18)Boiling Point: 651 °C at 760 mmHg; (19)Vapour Pressure: 7.87E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(c1nc2c(n1)cc(cc2)n3cccc3)Cc4nccc(OC)c4C
(2)InChI: InChI=1/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)
(3)InChIKey: HRRXCXABAPSOCP-UHFFFAOYAR
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