Methyl (R)-5-(2-bromo-1-hydroxyethyl)-2-(phenylmethoxy)benzoate - CAS 160889-18-9
Catalog: |
BB076004 |
Product Name: |
Methyl (R)-5-(2-bromo-1-hydroxyethyl)-2-(phenylmethoxy)benzoate |
CAS: |
160889-18-9 |
Synonyms: |
Salmeterol Impurity; (R)-5-(2-Bromo-1-hydroxyethyl)-2-(phenylmethoxy)benzoic Acid, Methyl Ester; Methyl 2-(benzyloxy)-5-[(1R)-2-bromo-1-hydroxyethyl]benzoate |
IUPAC Name: | methyl 5-[(1R)-2-bromo-1-hydroxyethyl]-2-phenylmethoxybenzoate |
Description: | Methyl (R)-5-(2-bromo-1-hydroxyethyl)-2-(phenylmethoxy)benzoate is used in the preparation of phenylpyrazinoylguanidines as sodium channel blockers possessing β-agonist activity. These compounds are useful for promoting hydration of mucosal surfaces and treating a variety of disease conditions. |
Molecular Weight: | 365.22 |
Molecular Formula: | C17H17BrO4 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)C(CBr)O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C17H17BrO4/c1-21-17(20)14-9-13(15(19)10-18)7-8-16(14)22-11-12-5-3-2-4-6-12/h2-9,15,19H,10-11H2,1H3/t15-/m0/s1 |
InChI Key: | YDZXPQYEBGUSPC-HNNXBMFYSA-N |
References: | Johnson, M.R.; et al. U.S. No pp. given Patent 2012 CODEN:USXXAM. |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 364.03102 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 364.03102 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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