Home Sulfos 1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfonyl]-

1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfonyl]-

CAS No.:
117976-47-3
Catalog Number:
AG007QMB
Molecular Formula:
C18H21N3O4S
Molecular Weight:
375.4420
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Product Description
Catalog Number:
AG007QMB
Chemical Name:
1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfonyl]-
CAS Number:
117976-47-3
Molecular Formula:
C18H21N3O4S
Molecular Weight:
375.4420
MDL Number:
MFCD08063743
IUPAC Name:
2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfonyl]-1H-benzimidazole
InChI:
InChI=1S/C18H21N3O4S/c1-13-16(19-9-8-17(13)25-11-5-10-24-2)12-26(22,23)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:
KNYNPBSPFHFPML-UHFFFAOYSA-N
SMILES:
COCCCOc1ccnc(c1C)CS(=O)(=O)c1nc2c([nH]1)cccc2
UNII:
I2E100O20P
Properties
Complexity:
539  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.125g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
375.443g/mol
Monoisotopic Mass:
375.125g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Identification and characterization of potential impurities of rabeprazole sodium. Journal of pharmaceutical and biomedical analysis 20070312
Properties