Cyclizine Lactate - CAS 5897-19-8

Catalog:	BB069037
Product Name:	Cyclizine Lactate
CAS:	5897-19-8
Synonyms:	2- Hydroxy- propanoic acid compd. with 1- (diphenylmethyl) - 4- methylpiperazine; Lactic acid, compd. with 1-(diphenylmethyl)-4-methylpiperazine; Lactic acid, salt with 1-diphenylmethyl-4-methylpiperazine; 1-(Diphenylmethyl)-4-methyl-piperazine mono(2-hydroxypropanoate); 1-(Diphenylmethyl)-4-methyl-piperazine monolactate; Valoid

Technical Data

IUPAC Name:	1-benzhydryl-4-methylpiperazine2-hydroxypropanoic acid
Description:	Cyclizine Lactate is a lactate salt of Cyclizine (C987805, HCl salt) which is a piperazine derivative with anti-emetic activity that is useful in the prevention and treatment of nausea and vomiting associated with motion sickness.
Molecular Weight:	356.46
Molecular Formula:	C21H28N2O3
Canonical SMILES:	CC(C(=O)O)O.CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C18H22N2.C3H6O3/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-171-2(4)3(5)6/h2-11,18H,12-15H2,1H32,4H,1H3,(H,5,6)
InChI Key:	JOROEVAWQLGPFQ-UHFFFAOYSA-N
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Sticky Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Kuntzman, R., et al. J. Pharmacol. Exp. Ther., 158, 332 (1967), Walker, R., et al. Eur. J. Pharm. Sci., 4, 301 (1996), Dumasia, M., et al. Xenobiotica, 32, 795 (2002).

Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	356.20999276
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	356.20999276
Rotatable Bond Count:	4
Topological Polar Surface Area:	64Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0