CAS 117977-21-6 | 2-[[[4-(3-Methoxypropoxy)-3-methylpyridine-2-yl ]methyl]thio]-1H-benzimidazole | CAS Number 117977-21-6

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117977-21-6 | 2-[[[4-(3-Methoxypropoxy)-3-methylpyridine-2-yl ]methyl]thio]-1H-benzimidazole

CAS No: 117977-21-6 Catalog No: AG007QM8 MDL No:MFCD08063845

Product Description

Catalog Number:

AG007QM8

Chemical Name:

2-[[[4-(3-Methoxypropoxy)-3-methylpyridine-2-yl ]methyl]thio]-1H-benzimidazole

CAS Number:

117977-21-6

Molecular Formula:

C18H21N3O2S

Molecular Weight:

343.4432

MDL Number:

MFCD08063845

IUPAC Name:

2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole

InChI:

InChI=1S/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)

InChI Key:

BSXAHDOWMOSVAP-UHFFFAOYSA-N

SMILES:

COCCCOc1ccnc(c1C)CSc1nc2c([nH]1)cccc2

UNII:

304S7E320P

Properties

Complexity:

374

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

343.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

343.445g/mol

Monoisotopic Mass:

343.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Randomized, open-label, single-dose, crossover, relative bioavailability study in healthy adults, comparing the pharmacokinetics of rabeprazole granules administered using soft food or infant formula as dosing vehicle versus suspension.	Clinical therapeutics 20120701
In vitro metabolic stability of moisture-sensitive rabeprazole in human liver microsomes and its modulation by pharmaceutical excipients.	Archives of pharmacal research 20080301
Identification and characterization of potential impurities of rabeprazole sodium.	Journal of pharmaceutical and biomedical analysis 20070312
Identification of the time-point which gives a plasma rabeprazole concentration that adequately reflects the area under the concentration-time curve.	European journal of clinical pharmacology 20061001
Stereoselective metabolism of rabeprazole-thioether to rabeprazole by human liver microsomes.	European journal of clinical pharmacology 20060201
Comparison of inhibitory effects of the proton pump-inhibiting drugs omeprazole, esomeprazole, lansoprazole, pantoprazole, and rabeprazole on human cytochrome P450 activities.	Drug metabolism and disposition: the biological fate of chemicals 20040801