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

CHEBI:190404 ·resolve ·ANTIVIRAL ·EXACT SEEDED

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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:36807 CHEBI:36807

Chemical structure

Computed structure properties
Molecular formula	C25H41NO2.HCl
Charge	0
Average mass	424.069 Da
Monoisotopic mass	423.29041 Da
Source	ChEBI
InChIKey	GZFYZYBWLCYBMI-MYZJJQSMSA-N

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

Also called

3β-[2-(diethylamino)ethoxy]androst-5-en-17-one hydrochloride (EXACT_SYNONYM)— chebi
(3β)-3-[2-(diethylamino)ethoxy]androst-5-en-17-one hydrochloride (EXACT_SYNONYM)— chebi
3β-(2-diethylaminoethoxy)androst-5-en-17-one HCl (EXACT_SYNONYM)— chebi
N,N-diethyl-2-[(17-oxoandrost-5-en-3β-yl)oxy]ethanaminium chloride (EXACT_SYNONYM)— chebi
U 18,666A (EXACT_SYNONYM)— chebi
U 18666A (EXACT_SYNONYM)— chebi
U-18,666A (EXACT_SYNONYM)— chebi
U-18666A (EXACT_SYNONYM)— chebi
U18666A (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:3039-71-2
chemspider:8129692
patent:WO2010083445

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:22587 CHEBI:22587

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:190404`	3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride	`antibioticmech:chebi-11e0a10943`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.