(17beta)-17-(3-(4-(Hexyloxy)phenyl)-1-oxopropoxy)estr-4-en-3-one

HCID 92341
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Basic information

CAS
52279-57-9
Standard SMILES
CCCCCCOc1ccc(CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@]23C)cc1
InChIKey
PQKRYXHYWWQULJ-JMKYFRMNSA-N
Molecular formula
C33H46O4
Average molar mass
506.7 g/mol
Monoisotopic mass
506.33960995

Names & identifiers

Preferred name
(17beta)-17-(3-(4-(Hexyloxy)phenyl)-1-oxopropoxy)estr-4-en-3-one
IUPAC
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-(4-hexoxyphenyl)propanoate
English name
19-Nortestosterone 4-hexyloxyphenylpropionate
Molecular formula
C33H46O4
Molecular weight
506.72

Names & synonyms

52279-57-9Nandrolone p-hexyloxyphenylpropionateANADORANADURINE602JJC2862DTXSID20966654NANDROLONE (P-HEXYLOXYPHENYL)PROPIONATEEstr-4-en-3-one, 17-(3-(4-(hexyloxy)phenyl)-1-oxopropoxy)-, (17beta)-NORTESTOSTERONE (P-HEXYLOXYPHENYL)PROPIONATE19-NORTESTOSTERONE 3-(P-HEXYLOXYPHENYL)PROPIONATE(17beta)-17-(3-(4-(Hexyloxy)phenyl)-1-oxopropoxy)estr-4-en-3-one(17beta)-17-[3-[4-(Hexyloxy)phenyl]-1-oxopropoxy]estr-4-en-3-one
Show more names
p-HexyloxyphenylpropionateNandrolonehexyloxyphenylpropionate19-nortestosterone 4-hexoxyphenylpropionate19-Nortestosterone 4-hexyloxyphenylpropionate3-Oxo-4-estren-17beta-yl 3-(4-hexyloxyphenyl)propionatEstr-4-en-3-one, 17-[3-[4-(hexyloxy)phenyl]-1-oxopropoxy]-, (17β)-17beta-hydroxyestr-4-en-3-one 17-[3-[4-(hexyloxy)phenyl]propionate]
RefChem:1049360DTXCID50139428117beta-hydroxyestr-4-en-3-one p-hexyloxyphenylpropionateEstr-4-en-3-one, 17beta-hydroxy-, p-(hexyloxy)hydrocinnamate257-810-4AnadurEINECS 257-810-4UNII-602JJC2862

Database identifiers

CAS
52279-57-9
PubChem CID
92341
DTXSID
DTXSID20966654
UNII
602JJC2862
EC Number
257-810-4
Nikkaji
J10.381K

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
37

Physicochemical properties

Melting point
53 · 53-55°
alpha
45 ° · D +45° (c = 1.0 in dioxane)
FDA UNII
602 JJC2862 · 602JJC2862

Chemistry & industry

Applications

UsesAn anabolic steroid.Controlled substance (anabolic steroid).Anadur is a modulator of nuclear receptor NR2F6 activity and is used in the treatment of cancer.

Suppliers2 total

嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
丹阳市万隆化工有限公司86-511-8681 0993 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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