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160098-11-3 | 1H-Benzimidazole, 6-(difluoromethoxy)-2-[(R)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1)
CAS No: 160098-11-3 Catalog No: AG001RNJ MDL No:
Product Description
Catalog Number:
AG001RNJ
Chemical Name:
1H-Benzimidazole, 6-(difluoromethoxy)-2-[(R)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1)
CAS Number:
160098-11-3
Molecular Formula:
C16H15F2N3NaO4S
Molecular Weight:
406.3596
IUPAC Name:
sodium;5-(difluoromethoxy)-2-[(R)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
InChI:
InChI=1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1/t26-;/m1./s1
InChI Key:
YNWDKZIIWCEDEE-UFTMZEDQSA-N
SMILES:
COc1c(OC)ccnc1C[S@@](=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.057g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.352g/mol
Monoisotopic Mass:
405.057g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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