2-Hydroxy-4-azoniaspiro[3.5]nonane Chloride - CAS 15285-58-2

Name: 2-Hydroxy-4-azoniaspiro[3.5]nonane Chloride
Brand: BOC Sciences
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Catalog:	BB064071
Product Name:	2-Hydroxy-4-azoniaspiro[3.5]nonane Chloride
CAS:	15285-58-2
Synonyms:	2-Hydroxy-4-azaspiro[3.5]nonan-4-ium Chloride

Technical Data

IUPAC Name:	4-azoniaspiro[3.5]nonan-2-olchloride
Description:	2-Hydroxy-4-azoniaspiro[3.5]nonane Chloride is used as a reagent in the synthesis of polyfunctional phosphorodithioates and its derivatives via nucleophilic ring opening of azetidinium ions. 2-Hydroxy-4-azoniaspiro[3.5]nonane Chloride is also a reagent in the synthesis of Arimoclomol Maleic Acid (A771270); an orally administered drug used to treat amyotrophic lateral sclerosis.
Molecular Weight:	177.67
Molecular Formula:	C8H16ClNO
Canonical SMILES:	C1CC[N+]2(CC1)CC(C2)O.[Cl-]
InChI:	InChI=1S/C8H16NO.ClH/c10-8-6-9(7-8)4-2-1-3-5-9/h8,10H,1-7H21H/q+1/p-1
InChI Key:	WUHOOISVAOJLPM-UHFFFAOYSA-M
References:	Jeziorna, A., et al. Tetrahedron Lett., 44, 3239 (2003); Kurthy, M., et al. New. York. Acad. Sci., 967, 482 (2002); Kalmar, B., et al. Exp. Neurol., 184, 636 (2003).

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Signal Word:	Warning

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.0920418
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.0920418
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0