3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride (CHEBI:190404)

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CHEBI:190404 - 3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride

ChEBI ID	CHEBI:190404
ChEBI Name	3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride
Stars
ASCII Name	3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride
Definition	A hydrochloride obtained by reaction of 3β-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor.
Last Modified	24 March 2022
Submitter	Adnan
Downloads	Molfile

Formula	C25H41NO2.HCl
Net Charge	0
Average Mass	424.069
Monoisotopic Mass	423.29041
SMILES	Cl.[H][C@@]12CC=C3C[C@@H](OCCN(CC)CC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChI	InChI=1S/C25H41NO2.ClH/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24;/h7,19-22H,5-6,8-17H2,1-4H3;1H/t19-,20-,21-,22-,24-,25-;/m0./s1
InChIKey	GZFYZYBWLCYBMI-MYZJJQSMSA-N

Roles Classification

Biological Roles:

nicotinic antagonist An antagonist at the nicotinic cholinergic receptor.

EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD⁺ or NADP⁺ as acceptor) inhibitor that interferes with the action of Δ²⁴-sterol reductase (EC 1.3.1.72).

Hedgehog signaling pathway inhibitor Any pathway inhibitor that inhibits the Hedgehog signalling pathway.

sterol biosynthesis inhibitor Any compound that inhibits the biosynthesis of any sterol.

antiviral agent A substance that destroys or inhibits replication of viruses.

Application:

nicotinic antagonist An antagonist at the nicotinic cholinergic receptor.

ChEBI Ontology

Outgoing Relation(s)
	3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride (CHEBI:190404) has part 3β-(2-diethylaminoethoxy)androst-5-en-17-one(1+) (CHEBI:190403)
	3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride (CHEBI:190404) has role antiviral agent (CHEBI:22587)
	3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride (CHEBI:190404) has role EC 1.3.1.72 (Δ²⁴-sterol reductase) inhibitor (CHEBI:78728)
	3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride (CHEBI:190404) has role Hedgehog signaling pathway inhibitor (CHEBI:140921)
	3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride (CHEBI:190404) has role nicotinic antagonist (CHEBI:48878)
	3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride (CHEBI:190404) has role sterol biosynthesis inhibitor (CHEBI:83317)
	3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride (CHEBI:190404) is a hydrochloride (CHEBI:36807)

IUPAC Name
3β-[2-(diethylamino)ethoxy]androst-5-en-17-one hydrochloride

Synonyms	Source
3β-(2-diethylaminoethoxy)androst-5-en-17-one HCl	ChEBI
(3β)-3-[2-(diethylamino)ethoxy]androst-5-en-17-one hydrochloride	ChEBI
N,N-diethyl-2-[(17-oxoandrost-5-en-3β-yl)oxy]ethanaminium chloride	IUPAC
U 18,666A	ChemIDplus
U 18666A	ChemIDplus
U-18,666A	ChemIDplus

Manual Xrefs	Databases
8129692	ChemSpider
WO2010083445	Patent

Registry Numbers	Sources
CAS:3039-71-2	ChemIDplus

Citations