Hexahydro-indolizin-7-one Hydrochloride - CAS 2407-99-0

Catalog:	BB061086
Product Name:	Hexahydro-indolizin-7-one Hydrochloride
CAS:	2407-99-0
Synonyms:	Hexahydroindolizin-7(1H)-one Hydrochloride; Hexahydro-7(1H)-indolizinone Hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
Description:	Hexahydro-indolizin-7-one is used as a reactant in biological research on novel 5-HT6 receptor antagonists design.
Molecular Weight:	139.19 + (36.46)
Molecular Formula:	C8H13NO·HCl
Canonical SMILES:	C1CC2CC(=O)CCN2C1
InChI:	InChI=1S/C8H13NO/c10-8-3-5-9-4-1-2-7(9)6-8/h7H,1-6H2
InChI Key:	CQTKSBAHMPWPQD-UHFFFAOYSA-N
References:	Isaac, M., et al.:Bioorg. & Med. Chem. Letters, 10, 1719(2000).

Publication Number	Title	Priority Date
WO-2021061643-A1	METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION	20190923
WO-2019040105-A2	COMPOUNDS, SALTS THEREOF AND METHODS FOR THE TREATMENT OF DISEASES	20170821
WO-2019040106-A2	COMPOUNDS, RELATED SALTS AND METHODS FOR THE TREATMENT OF DISEASES	20170821
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EP-3227270-A2	Heterocyclic derivatives and use thereof	20141202

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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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.099714038
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	139.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3