α-Glyceryl Anthranilate - CAS 71574-35-1
Catalog: |
BB064453 |
Product Name: |
α-Glyceryl Anthranilate |
CAS: |
71574-35-1 |
Synonyms: |
Glyceryl 1-(2-Aminobenzoate); 2,3-Dihydroxypropyl Anthranilate; 1,2,3-Propanetriol, 1-(2-Aminobenzoate) |
IUPAC Name: | 2,3-dihydroxypropyl 2-aminobenzoate |
Description: | α-Glyceryl Anthranilate is an intermediate in the synthesis of Floctafenine (F401700), an nonsteroidal antiinflammatory drug (NSAID) used in inflammatory disorders. |
Molecular Weight: | 211.21 |
Molecular Formula: | C10H13NO4 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)OCC(CO)O)N |
InChI: | InChI=1S/C10H13NO4/c11-9-4-2-1-3-8(9)10(14)15-6-7(13)5-12/h1-4,7,12-13H,5-6,11H2 |
InChI Key: | VHWSRELATOUTAG-UHFFFAOYSA-N |
Solubility: | DCM, Methanol |
Appearance: | Light Pink Solid |
References: | Al-Omari, M. M., et al. Pharma. Sci., 3, 73 (1997). |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0844579 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 92.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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