α-Hydroxy-4-(2-oxiranylmethoxy)-benzeneacetamide - CAS 74908-88-6
Catalog: |
BB063600 |
Product Name: |
α-Hydroxy-4-(2-oxiranylmethoxy)-benzeneacetamide |
CAS: |
74908-88-6 |
Synonyms: |
alpha-Hydroxy-4-(2-oxiranylmethoxy)benzeneacetamide |
IUPAC Name: | 2-hydroxy-2-[4-(oxiran-2-ylmethoxy)phenyl]acetamide |
Description: | α-Hydroxy-4-(2-oxiranylmethoxy)-benzeneacetamide is an intermediate in the synthesis of hydroxyatenolol (H802480), which is a metabolite of Atenolol (A790075); a cardioselective β-adrenergic blocker, antihypertensive, antianginal, and antiarrhythmic (class II). |
Molecular Weight: | 223.23 |
Molecular Formula: | C11H13NO4 |
Canonical SMILES: | C1C(O1)COC2=CC=C(C=C2)C(C(=O)N)O |
InChI: | InChI=1S/C11H13NO4/c12-11(14)10(13)7-1-3-8(4-2-7)15-5-9-6-16-9/h1-4,9-10,13H,5-6H2,(H2,12,14) |
InChI Key: | WKZBKYGIPVWYKE-UHFFFAOYSA-N |
Solubility: | DMSO, Methanol |
Appearance: | Off-White Solid |
References: | Escher, B., et al. Environ. Sci. Technol., 40, 7402 (2006); Caplar, V., et al. Anal. Profiles Drug Subs., 13, 1 (1984). |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0844579 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 85.1Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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