2-Oxa-7-azaspiro[4.5]decane Hydrochloride - CAS 374795-37-6

Catalog:	BB058435
Product Name:	2-Oxa-7-azaspiro[4.5]decane Hydrochloride
CAS:	374795-37-6
Synonyms:	2-Oxa-7-azaspiro[4.5]decane hydrochloride; 2-OXA-7-AZASPIRO[4.5]DECANE HCL; 2-oxa-9-azaspiro[4.5]decane; hydrochloride

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Computed Properties

IUPAC Name:	2-oxa-9-azaspiro[4.5]decanehydrochloride
Description:	2-Oxa-7-azaspiro[4.5]decane Hydrochloride is a reagent used in the synthesis of NK-1 receptor antagonists.
Molecular Weight:	127.18 + (36.46)
Molecular Formula:	C7H13NO·HCl
Canonical SMILES:	C1CC2(CCOC2)CNC1.Cl
InChI:	InChI=1S/C8H15NO.ClH/c1-2-8(6-9-4-1)3-5-10-7-8/h9H,1-7H21H
InChI Key:	BKIKSGHRHONONE-UHFFFAOYSA-N
References:	Castro P. et al. PCT Int. Appl. (2001), WO 2001087838 A1 20011122..

Publication Number	Title	Priority Date
CN-111793077-A	PD-1/PD-L1 small-molecule inhibitor and application thereof in medicines	20190401
WO-2019174533-A1	Small molecule pd-1/pd-l1 inhibitor and use thereof in drugs	20180313
CN-111788193-A	PD-1/PD-L1 small molecule inhibitor and application thereof in medicines	20180313
AU-2001256509-B2	Cyclohexane derivatives and their use as therapeutic agents	20000519
DE-60123420-T2	Cyclohexyl derivatives and their use as therapeutic agents	20000519
EP-1286967-B1	Cyclohexane derivatives and their use as therapeutic agents	20000519
JP-2003533509-A	Cyclohexane derivatives and their use as therapeutics	20000519
US-2003236250-A1	Cyclohexane derivatives and their use as therapeutic agents	20000519
US-7105507-B2	Cyclohexane derivatives and their use as therapeutic agents	20000519

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	177.0920418
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0