8-Acetoxycarbostyril - CAS 15450-72-3

Catalog:	BB075541
Product Name:	8-Acetoxycarbostyril
CAS:	15450-72-3
Synonyms:	8-Acetoxy-2-quinolone; 2,8-Quinolinediol 8-Acetate; 8-Acetoxy-1H-quinolin-2-one; 8-Acetoxy-2(1H)-quinolinone; 8-Acetoxy-2-hydroxyquinoline; 8-Acetoxy-2-quinolinol; 8-Acetoxy-2-quinolone

Technical Data

IUPAC Name:	(2-oxo-1H-quinolin-8-yl) acetate
Description:	8-Acetoxycarbostyril is an intermediate in the synthesis of metabolites of procaterol hydrochloride (Meptin) (P155490), a b2-adrenergic agonist used in the treatment of asthma.
Molecular Weight:	203.19
Molecular Formula:	C11H9NO3
Canonical SMILES:	CC(=O)OC1=CC=CC2=C1NC(=O)C=C2
InChI:	InChI=1S/C11H9NO3/c1-7(13)15-9-4-2-3-8-5-6-10(14)12-11(8)9/h2-6H,1H3,(H,12,14)
InChI Key:	UTMRKCQYCLEKDL-UHFFFAOYSA-N
Melting Point:	>234°C (dec.)
Solubility:	DMSO (Slightly), Methanol (Slightly, Heated)
Appearance:	Light Beige to Beige Solid
Storage:	4°C
References:	Verniest, G., et al. J. Org. Chem., 75, 424 (2010).

Complexity:	311
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.058243149
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.058243149
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1