Dexchlorpheniramine n-Oxide Dihydrochloride

Catalog:	BB068411
Product Name:	Dexchlorpheniramine n-Oxide Dihydrochloride
Synonyms:	(S)-γ-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine N-Oxide (9CI)

Technical Data

IUPAC Name:	(3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine oxidedihydrochloride
Description:	Dexchlorpheniramine n-Oxide Dihydrochloride is the salt of Dexchlorpheniramine n-Oxide, which is a useful intermediate and is used in the preparation of chlorpheniramine metabolite.
Molecular Weight:	290.79 + 2(36.46)
Molecular Formula:	C16H19ClN2O·2(HCl)
Canonical SMILES:	C[N+](C)(CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2)[O-].Cl.Cl
InChI:	InChI=1S/C16H19ClN2O.2ClH/c1-19(2,20)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H32*1H/t15-/m0../s1
InChI Key:	OHKSBZICVDICGZ-CKUXDGONSA-N
References:	Cashman, J.R.; et al. Xenobiotica, 22, 459 (1992).

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	362.071946
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	362.071946
Rotatable Bond Count:	5
Topological Polar Surface Area:	31Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0