4-Biphenylyl Sulfate Potassium Salt - CAS 16063-84-6
Catalog: |
BB073331 |
Product Name: |
4-Biphenylyl Sulfate Potassium Salt |
CAS: |
16063-84-6 |
Synonyms: |
4-Biphenylol Hydrogen Sulfate Potassium Salt; [1,1'-Biphenyl]-4-ol Hydrogen Sulfate, Potassium Salt; Potassium 4-Hydroxybiphenyl-O-sulfate; Potassium Biphenyl-4-sulfate |
IUPAC Name: | potassium(4-phenylphenyl) sulfate |
Description: | 4-Biphenylyl Sulfate Potassium Salt is a derivative of 4-Phenylphenol (P336135). 4-Phenylphenol is a reagent used in the synthesis of pyrrolo[1,2-c]imidazole dione derivatives as selective serotonin 5-HT1A receptor agonists with antinociceptive activity. |
Molecular Weight: | 288.36 |
Molecular Formula: | C12H9KO4S |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)[O-].[K+] |
InChI: | InChI=1S/C12H10O4S.K/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15)/q+1/p-1 |
InChI Key: | PULZWJPOJVBDEU-UHFFFAOYSA-M |
Melting Point: | >300°C |
Solubility: | DMSO (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Hygroscopic |
References: | Valhondo, M., et al. J. Med. Chem., 56, 7851 (2013); Nichols, D., et al. Chem. Rev., 108, 1614 (2008). |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.98586142 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.98586142 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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