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117977-21-6

Basic Information
CAS No.: 117977-21-6
Name: 2-{[4-(3-Methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1H-benzimidazole
Article Data: 24
Molecular Structure:
Molecular Structure of 117977-21-6 (2-{[4-(3-Methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1H-benzimidazole)
Formula: C18H21N3O2S
Molecular Weight: 343.45
Synonyms: 2-[[[3-Methyl-4-(3-methoxypropoxy)-2-pyridyl]methyl]thio]-1H-benzimidazole;2-[[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-1H-benzimidazole;Rabeprazole-thioether;
EINECS: 601-502-8
Density: 1.259 g/cm3
Melting Point: 120.5-121.5 °C
Boiling Point: 546.351 °C at 760 mmHg
Flash Point: 284.223 °C
Appearance: Off-white crystalline powder
PSA: 85.33000
LogP: 3.97390
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  • 2-{[4-(3-Methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1H-benzimidazole

  • Casno:

    117977-21-6

    2-{[4-(3-Methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1H-benzimidazole

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  • 2-{[4-(3-METHOXYPROPOXY)-3-METHYLPYRIDINE-2-YL]-METHYTHIO}-1H-BENZIMIDAZOLE

  • Casno:

    117977-21-6

    2-{[4-(3-METHOXYPROPOXY)-3-METHYLPYRIDINE-2-YL]-METHYTHIO}-1H-BENZIMIDAZOLE

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Chemistry

Following is the structure of 1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]- (CAS NO.117977-21-6):
              
Empirical Formula: C18H21N3O2S
Molecular Weight: 343.4432 g/mol
Molar Refractivity: 97.808 cm3
Molar Volume: 272.71 cm3 
Density: 1.259 g/cm3
Flash Point: 284.223 °C
Index of Refraction: 1.636
Surface Tension: 61.833 dyne/cm
Enthalpy of Vaporization: 82.542 kJ/mol
Boiling Point: 546.351 °C at 760 mmHg
Product Categories of 1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]- (CAS NO.117977-21-6): Rabeprazole; Impurities & Metabolites; PHARMACEUTICAL INTERMEDIATES; (intermediate of raberprazole); Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Rabeprazole Sodium
Appearance of 1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]- (CAS NO.117977-21-6): Off-White Crystalline Powder
SMILES: O(C)CCCOc1c(c(ncc1)CSc3nc2ccccc2n3)C
InChI: InChI=1/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
InChIKey: BSXAHDOWMOSVAP-UHFFFAOYAF

Uses

 1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]- (CAS NO.117977-21-6) can be used as a metabolite of Rabeprazole .

Specification

 1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]- , its cas register number is 117977-21-6. It also can be called 2-{[4-(3-Methoxypropoxy)-3-methylpyridine-2-yl]methylthio}-1H-benzimidazole .