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EQUILENIN

CAS No.
517-09-9
Chemical Name:
EQUILENIN
Synonyms
E 400;NSC 9901;EQUILENIN;Equilenina;Equilenine;D-EQUILENIN;l-Equilenin;Isoequilenin;(+)-EQUILENIN;Isoequilenine
CBNumber:
CB3774265
Molecular Formula:
C18H18O2
Molecular Weight:
266.33
MDL Number:
MFCD00003619
MOL File:
517-09-9.mol
Last updated:2023-05-18 11:31:15

EQUILENIN Properties

Melting point 258-259°
alpha D16 +87° (12.8 mg made up to 1.8 ml in dioxane)
Boiling point 349.54°C (rough estimate)
Density 1.1305 (rough estimate)
refractive index 1.4800 (estimate)
Flash point 2 °C
storage temp. 2-8°C
solubility DMSO (Slightly), Methanol (Slightly, Heated)
pka pKa 9.72 (H2O t=25.0±0.02 ) (Uncertain);9.75±0.06 (Uncertain)
form Solid
color Pale Yellow to Light Beige
Water Solubility 1.52mg/L(25 ºC)
EWG's Food Scores 1
FDA UNII W8FTJ17C4J
EPA Substance Registry System Equilenin (517-09-9)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H302-H312-H319-H332
Precautionary statements  P210-P280-P305+P351+P338
Hazard Codes  F,Xn
Risk Statements  11-20/21/22-36-48-40
Safety Statements  16-26-36-36/37
RIDADR  UN 1648 3/PG 2
WGK Germany  2

EQUILENIN price More Price(13)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 33693 Equilenin solution 100?μg/mL in acetonitrile, VETRANAL?, analytical standard 517-09-9 2ml $73.1 2022-05-15 Buy
Cayman Chemical 23322 Equilenin ≥98% 517-09-9 500μg $121 2024-03-01 Buy
Cayman Chemical 23322 Equilenin ≥98% 517-09-9 1mg $183 2024-03-01 Buy
TRC E592400 Equilenin 517-09-9 2mg $330 2021-12-16 Buy
Biosynth Carbosynth FE22774 Equilenin 517-09-9 2mg $400 2021-12-16 Buy
Product number Packaging Price Buy
33693 2ml $73.1 Buy
23322 500μg $121 Buy
23322 1mg $183 Buy
E592400 2mg $330 Buy
FE22774 2mg $400 Buy

EQUILENIN Chemical Properties,Uses,Production

Uses

Equilenin is a naturally occuring estrogenic steroidal hormone (1,2) isolated from urine of pregnant mares (3). Not found in human urine. Component of conjugated estrogenic hormones. Estrogen. 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.

Uses

Estrogenic steroidal hormone isolated from urine of pregnant mares. Occurs naturally in the d-form. Not found in human urine. Component of conjugated estrogenic hormones. Estrogen.

Definition

ChEBI: Equilenin is a 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women. It has a role as a mammalian metabolite and an antioxidant. It is a 3-hydroxy steroid and a 17-oxo steroid.

Purification Methods

Crystallise (+)-equilenin from EtOH (solubility is 0.63% at 18o, 2.5% at 78o), aqueous EtOH or *C6H6 (Norite) and dry it in a vacuum. It sublimes on melting and at 170-180o/0.01mm. The acetate crystallises from MeOH with m 165-167o and [ ] D +71o (c 1, CHCl3). [Bachmann et al. J Am Chem Soc 62 824 1940, Beilstein 8 III 1522, 1523, 1525, 8 IV 1420.]

EQUILENIN Preparation Products And Raw materials

Raw materials

Preparation Products

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3-hydroxyoestra-1,3,5(10),6,8-pentaen-17-one (+)-EQUILENIN EQUILENIN D-1,3,5(10),6,8-ESTRAPENTAEN-3-OL-17-ONE D-EQUILENIN 1,3,5(10)-6,8-ESTRAPENTAEN-3-OL-17-ONE 3-HYDROXYESTRA-1,3,5,7,9-PENTAEN-17-ONE 3-HYDROXY-1,3,5(10),6,8-ESTRAPENTAEN-17-ONE 3-Hydroxyestra-1(10),2,4,6,8-pentaen-17-one 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one 5(10),6,8-pentaen-17-one,3-hydroxy-estra-3 5,7,9-pentaen-17-one,3-hydroxy-estra-3 Equilenina Equilenine Estra-1,3,5(10),6,8-pentaen-17-one, 3-hydroxy- Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy- Isoequilenin Isoequilenine equilenin solution E 400 NSC 9901 Equilenin, 100 ng/ in Acetonitril, Pestanal [13α,14β,(-)]-3-Hydroxyestra-1,3,5,7,9-pentene-17-one l-Equilenin (14β)-3-Hydroxyestra-1(10),2,4,6,8-pentene-17-one 14-epi-Equilenin d-iso-Equilenin (-)-13-Isoequilenin (-)-13-iso-equilenin [13α,(-)]-3-Hydroxyestra-1,3,5,7,9-pentene-17-one l-Isoequilenin l-iso-Equilenin EQUILENIN USP/EP/BP 517-09-9 Intermediates & Fine Chemicals Pharmaceuticals Steroids Miscellaneous Natural Products