6,7-Dichloro-3,5-dihydro-1-hydroxyimidazo[1,2-a]quinazolin-2(1H)-one(Anagrelide Impurity) - CAS 875467-41-7

Catalog:	BB068042
Product Name:	6,7-Dichloro-3,5-dihydro-1-hydroxyimidazo[1,2-a]quinazolin-2(1H)-one(Anagrelide Impurity)
CAS:	875467-41-7
Synonyms:	6,7-dichloro-1-hydroxy-3,5-dihydro-1H-imidazo[1,2-a]quinazolin-2-one; 6,7-Dichloro-3,5-dihydro-1-hydroxyimidazo[1,2-a]quinazolin-2(1H)-one(Anagrelide Impurity); 1-Hydroxy-6,7-dichloro-1,2,3,5-tetrahydroimidazo[1,2-a]quinazoline-2-one; 6,7-Dichloro-3,5-dihydro-1-hydroxyimidazo[1,2-a]quinazolin-2(1H)-one (Anagrelide Impurity)

Technical Data

IUPAC Name:	6,7-dichloro-1-hydroxy-3,5-dihydro-1H-imidazo[1,2-a]quinazolin-2-one
Description:	1-Hydroxy Anagrelide, is an intermediate for the synthesis of 3-Hydroxy Anagrelide, a major metabolite of Anagrelide, an antithrombotic.
Molecular Weight:	272.09
Molecular Formula:	C10H7Cl2N3O2
Canonical SMILES:	C1C2=C(C=CC(=C2Cl)Cl)N3C(C(=O)NC3=N1)O
InChI:	InChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-13-10-14-8(16)9(17)15(6)10/h1-2,9,17H,3H2,(H,13,14,16)
InChI Key:	SPQQGKKQCRFNPT-UHFFFAOYSA-N
Melting Point:	>169°C (dec.)
Solubility:	DMSO (Slightly, Heated and Sonicated)
Appearance:	White to Pale Beige Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Fleming, J.S., et al. Thromb. Res., 15, 373 (1979), Seiler, S., et al. J. Pharmacol. Exp. Ther., 243, 767 (1984), Silverstein, M. N., et al. N. Engl. J. Med., 318, 1292 (1988), Spencer, C.M., et al. Drugs, 47, 809 (1994),.

Complexity:	390
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	270.9915319
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	270.9915319
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.9Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1