1-(2-amino-4'-methoxy-[1,1'-biphenyl]-4-yl)ethanone - CAS 52806-72-1
Catalog: |
BB074736 |
Product Name: |
1-(2-amino-4'-methoxy-[1,1'-biphenyl]-4-yl)ethanone |
CAS: |
52806-72-1 |
Synonyms: |
1-[3-amino-4-(4-methoxyphenyl)phenyl]ethanone; 4-acetyl-2-amino-4'-methoxybiphenyl; 1-(2-amino-4'-methoxy-[1,1'-biphenyl]-4-yl)ethanone; 1-(2-Amino-4'-methoxy-[1,1'-biphenyl]-4-yl)ethan-1-one; 1-{2-amino-4'-methoxy-[1,1'-biphenyl]-4-yl}ethan-1-one |
IUPAC Name: | 1-[3-amino-4-(4-methoxyphenyl)phenyl]ethanone |
Description: | 1-(2-amino-4'-methoxy-[1,1'-biphenyl]-4-yl)ethanone is an intermediate in the synthesis of 4'-Hydroxy Flurbiprofen (H942440), a metabolite of Flurbiprofen (F598700), an anti-inflammatory used as an analgesic. |
Molecular Weight: | 241.29 |
Molecular Formula: | C15H15NO2 |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)OC)N |
InChI: | InChI=1S/C15H15NO2/c1-10(17)12-5-8-14(15(16)9-12)11-3-6-13(18-2)7-4-11/h3-9H,16H2,1-2H3 |
InChI Key: | OFYZKZFDUZXPER-UHFFFAOYSA-N |
References: | Peretto, I., et al. J. Med. Chem., 48, 5705 (2005); Zgheib, N., et al. Brit. J. Clin. Pharmacol., 63, 477 (2007). |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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