3-Quinuclidone hydrochloride - CAS 1193-65-3

Catalog:	BB004483
Product Name:	3-Quinuclidone hydrochloride
CAS:	1193-65-3
Synonyms:	1-azabicyclo[2.2.2]octan-3-one;hydrochloride

Technical Data

Patents

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Computed Properties

IUPAC Name:	1-azabicyclo[2.2.2]octan-3-one;hydrochloride
Description:	3-Quinuclidone hydrochloride (CAS# 1193-65-3) is used in the synthesis of cevimeline, a thiolating agent. Also used in the preparation of novel CB1 and CB2 cannabinoid receptor ligands.
Molecular Weight:	161.63
Molecular Formula:	C7H11NO · HCl
Canonical SMILES:	C1CN2CCC1C(=O)C2.Cl
InChI:	InChI=1S/C7H11NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6H,1-5H2;1H
InChI Key:	RFDPHKHXPMDJJD-UHFFFAOYSA-N
Boiling Point:	204.9 ℃ at 760 mmHg
Appearance:	Off-white powder
MDL:	MFCD00137391
LogP:	1.02100

Publication Number	Title	Priority Date
CN-111454258-A	Preparation method of solifenacin intermediate	20200528
CN-111454258-B	Preparation method of solifenacin intermediate	20200528
WO-2021188880-A1	Benzenesulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
CN-111257458-A	Detection method and application of 3-quinuclidinone hydrochloride	20200220

PMID	Publication Date	Title	Journal
15149637	20040621	Discovering selective agonists of endothelial target for acetylcholine (ETA) via diversity-guided pharmacophore simplification and simulation	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Carbonyl Compounds

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[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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[82326-74-7]
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Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.0607417
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.0607417
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0