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U 18666A

CAT: 0926-FU166621-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FU166621-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3039-71-2
Synonyms
(3?) -3-[2- (Diethylamino) ethoxy]androst-5-en-17-one hydrochloride
MDL Number
MFCD00210908
Smiles
CCN (CC) CCO[C@H]1CC[C@@]2 ([C@H]3CC[C@]4 ([C@H] ([C@@H]3CC=C2C1) CCC4=O) C) C.Cl
Molecular Formula
C25H41NO2·HCl
Molecular Weight
424.06 g/mol
Controlled
Yes

Chemical Information

3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride

3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride is a hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor. It has a role as a Hedgehog signaling pathway inhibitor, an antiviral agent, a nicotinic antagonist, an EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor and a sterol biosynthesis inhibitor. It contains a 3beta-(2-diethylaminoethoxy)androst-5-en-17-one(1+).

CAS Number3039-71-2
PubChem CID9954082
IUPAC Name(3S,8R,9S,10R,13S,14S)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;hydrochloride
Molecular FormulaC25H42ClNO2
Molecular Weight424.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity624
SMILES
CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C.Cl
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
Chemical Structure
2D Structure
2D structure of 3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride
CAS: 3039-71-2
CID: 9954082
Formula: C25H42ClNO2
MW: 424.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass423.2904073
Monoisotopic Mass423.2904073
Topological Polar Surface Area29.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B6812-25U 18666A
BML-S200-0050U-18666A
OOMC00004-50MGOOMC00004-50MG - U-18666A
OOMC00004-10MGOOMC00004-10MG - U-18666A
TBI1075-10MGU-18666A, Cholesterol transport inhibitor
468400-01U 18666A discontinued. see 256989

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