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:

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

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).

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

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

nicotinic antagonist An antagonist at the nicotinic cholinergic receptor.

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
N,N-diethyl-2-[(17-oxoandrost-5-en-3β-yl)oxy]ethanaminium chloride	IUPAC
U18666A	ChemIDplus
U-18,666A	ChemIDplus
U 18666A	ChemIDplus
U 18,666A	ChemIDplus
U-18666A	ChemIDplus

Manual Xrefs	Databases
8129692	ChemSpider
WO2010083445	Patent

Registry Numbers	Sources
CAS:3039-71-2	ChemIDplus

Citations