Bifeprofen Hydrochloride

Name: Bifeprofen Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB061729
Product Name:	Bifeprofen Hydrochloride
Synonyms:	Bifeprofen hydrochloride; Bifeprofen HCl; [2-(4-methylpiperazin-1-yl)-2-oxoethyl] 2-[4-(2-chlorophenyl)phenyl]propanoate; hydrochloride; 2-(4-Methylpiperazino)-2-oxoethyl-2-(2'-chloro-4-biphenylyl)propionate hydrochloride; (1,1'-Biphenyl)-4-acetic acid, 2'-chloro-alpha-methyl-, 2-(4-methyl-1-piperazinyl)-2-oxoethyl ester, monohydrochloride

Technical Data

IUPAC Name:	[2-(4-methylpiperazin-1-yl)-2-oxoethyl] 2-[4-(2-chlorophenyl)phenyl]propanoatehydrochloride
Molecular Weight:	400.90 + (36.46)
Molecular Formula:	C22H25ClN2O3·HCl
Canonical SMILES:	CC(C1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)OCC(=O)N3CCN(CC3)C.Cl
InChI:	InChI=1S/C22H25ClN2O3.ClH/c1-16(22(27)28-15-21(26)25-13-11-24(2)12-14-25)17-7-9-18(10-8-17)19-5-3-4-6-20(19)23/h3-10,16H,11-15H2,1-2H31H
InChI Key:	IWFJFMHFGBSPBG-UHFFFAOYSA-N
References:	Brennan, A. B., et al. From U.S. Pat. Appl. Publ. (2010), US 20100226943 A1 20100909.

Complexity:	528
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	436.1320481
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	436.1320481
Rotatable Bond Count:	6
Topological Polar Surface Area:	49.8Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0