6-Chloro Pantoprazole - CAS 1203557-78-1
Catalog: |
BB069947 |
Product Name: |
6-Chloro Pantoprazole |
CAS: |
1203557-78-1 |
Synonyms: |
6-chloro-5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole |
IUPAC Name: | 6-chloro-5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole |
Description: | Used in the preparation of benzimidazole salts. |
Molecular Weight: | 417.81 |
Molecular Formula: | C16H14ClF2N3O4S |
Canonical SMILES: | COC1=C(C(=NC=C1)CS(=O)C2=NC3=CC(=C(C=C3N2)Cl)OC(F)F)OC |
InChI: | InChI=1S/C16H14ClF2N3O4S/c1-24-12-3-4-20-11(14(12)25-2)7-27(23)16-21-9-5-8(17)13(26-15(18)19)6-10(9)22-16/h3-6,15H,7H2,1-2H3,(H,21,22) |
InChI Key: | YRHDACUGVKVGLN-UHFFFAOYSA-N |
Complexity: | 524 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 417.0361611 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 417.0361611 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 106Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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