2-(((4-(2-(2,2-Dimethyl-1,3-dioxan-5-yl)ethoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1h-benzimidazole sodium salt

HCID 66775855
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Basic information

Standard SMILES
Cc1c(OCCC2COC(C)(C)OC2)ccnc1CS(=O)c1nc2ccccc2[nH]1.[Na]
InChIKey
YTCNCMYHNGVTLC-UHFFFAOYSA-N
Molecular formula
C22H27N3NaO4S
Average molar mass
452.5 g/mol

Names & identifiers

Preferred name
2-(((4-(2-(2,2-Dimethyl-1,3-dioxan-5-yl)ethoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1h-benzimidazole sodium salt

Names & synonyms

SCHEMBL711112YTCNCMYHNGVTLC-UHFFFAOYSA-N2-(((4-(2-(2,2-dimethyl-1,3-dioxan-5-yl)ethoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1h-benzimidazole sodium salt2-(((4-(2-(2,2-dimethyl-1,3dioxan-5-yl)ethoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1h-benzimidazole sodium salt

Database identifiers

PubChem CID
66775855

Properties

Computed structural properties

Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
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Compound notes

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