Estron

Ketohydroxy-Estratriene

HCID 698CAS 53-16-7
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Grundinformationen

Standard-SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O
InChIKey
DNXHEGUUPJUMQT-CBZIJGRNSA-N
Summenformel
C18H22O2
Durchschnittliche Molmasse
270,4 g/mol

Überblick

3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is a steroid. It has a role as an estrogen.

Namen und Bezeichner

Bevorzugter Name
Ketohydroxy-Estratriene
IUPAC
3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Lokaler Name
Estron
Englischer Name
Estrone
Summenformel
C18H22O2
Molmasse
270.37

Namen und Synonyme

Menformon AE1;Oestrone1187829-63-5FollestrolMestronaqNSC9699Fem-O-GenKetohydroxy-EstratrieneST019426Delta1,3,5(10)-Estratrien-3-ol-17-one3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one
Weitere Namen anzeigen
EstronOESTRONE200-164-5EsteroneHiestrone1,3,5(10)-ESTRATRIEN-3-OL-17-ONEESTROL(8R,9S,13S,14S)-3-hydroxy-13-Methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-oneFOLLICULIN
3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17h-cyclopenta[a]phenanthren-17-one5-hydroxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-2(7),3,5-trien-1 4-oneE(sub 1)FermidynFemestrone inj.NCGC00015423-03Follidrin (tablets)Duogen (Salt/Mix)

Datenbank-Bezeichner

CAS
53-16-7
PubChem CID
698
ChEMBL
CHEMBL756
ChEBI
CHEBI:95131

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,1
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
20

Physikochemische Eigenschaften

Schmelzpunkt
258 · 258-260 °C(lit.)
Siedepunkt
353.48 °C · 353.48°C (rough estimate)
Dichte
1.236 · 1.2360
Brechungsindex
165 ° · 165 ° (C=1, Dioxane)
Flammpunkt
9 ℃ · 9℃
storage temp.
room temp

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
hs_code
29335995
RTECS-Nr.
KG8575000
risk_code
45-60-61-64-40-63-39/23/24/25-23/24/25-11

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungEstrone is one of the three naturally occurring estrogens, the others being estradiol and estriol. Estrone is synthesized from androstenedione by the aromatase enzyme system in the ovaries and placenta, and is also synthesized from estradiol by 17-hydroxy steroid dehydrogenase in the liver.Serum concentrations of estrone in premenopausal women fluctuate according to the menstrual cycle and becomes the most predominant estrogen in postmenopausal women.The binding affinities of estrone to the estrogen receptors α and β are approximately 60% and 37% relative to estradiol.

VerwendenEstrone is a metabolite of 17β-Estradiol (E888000). During the metabolism, it is in rapid equilibrium with Estriol (E888960) and 17β-Estradiol (E888000) (1). Causes the feminization of male fish at human and animal waste sites (2). This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17.

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