4-Chloro-N-cyclohexylbutanamide - CAS 69601-43-0

Catalog:	BB062330
Product Name:	4-Chloro-N-cyclohexylbutanamide
CAS:	69601-43-0
Synonyms:	N-Cyclohexyl-4-chlorobutyramide

Technical Data

IUPAC Name:	4-chloro-N-cyclohexylbutanamide
Description:	4-Chloro-N-cyclohexylbutanamide is a reactant in the synthesis of Cilostazol (C441500), a potent phosphodiesterase III A (PDE3A) inhibitor (IC50=0.2uM) and inhibitor of adenosine uptake that has antimitogeni, antithrombotic, vasodilatory and cardiotonic properties in vivo and also affects lipid levels in vivo.
Molecular Weight:	203.71
Molecular Formula:	C10H18ClNO
Canonical SMILES:	C1CCC(CC1)NC(=O)CCCCl
InChI:	InChI=1S/C10H18ClNO/c11-8-4-7-10(13)12-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)
InChI Key:	KYKIYEJLXULPLV-UHFFFAOYSA-N
References:	Suri, A., et al. J. Clin. Pharmacol., 38, 144 (1998); Park, S.-W., et al. Am. J. Cardiol., 84, 511 (1999); Tsuchikane, E., et al. Circulation, 100, 21 (1999).

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.1076919
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.1076919
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2