17-Epiestriol
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17-Epiestriol
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CAS No:
1228-72-4
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Formula:
C18H24O3
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Chemical Name:
17-Epiestriol
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Synonyms:
Estra-1,3,5(10)-triene-3,16,17-triol,(16α,17α)-;Estra-1,3,5(10)-triene-3,16α,17α-triol;(16α,17α)-Estra-1,3,5(10)-triene-3,16,17-triol;17α-Estriol;17-Epiestriol;17-epi-Estriol;16α,17α-Estriol;NSC 84051;16α-Hydroxy-17α-estradiol
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CAS No:
Description
Off-White Solid
Solid
17-epiestriol is a 16alpha-hydroxy steroid that is estriol in which the hydroxy group at position 17 has been epimersied from beta- to alpha- configuration. It is a metabolite of estradiol and a selective estrogen receptor beta (ER-beta) agonist. It has a role as an estrogen receptor agonist, a human urinary metabolite and an estrogen. It is a 16alpha-hydroxy steroid, a 17alpha-hydroxy steroid and a 3-hydroxy steroid. It derives from a hydride of an estrane.
Characteristics
60.69000
2.58000
Solid
1.255g/cm3
114-115 °C
469ºC at 760mmHg
220.8ºC
1.624
1.34E-09mmHg at 25°C
Safety Information
NONH for all modes of transport
3
|Danger|H350 (50%): May cause cancer [Danger Carcinogenicity]|P201, P202, P260, P264, P270, P281, P308+P313, P314, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
17-Epiestriol Use and Manufacturing
A metabolite of Estradiol
Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C18 steroids (estrogens) and derivatives [ST0201]
Computed Properties
Molecular Weight:288.4
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:288.17254462
Monoisotopic Mass:288.17254462
Topological Polar Surface Area:60.7
Heavy Atom Count:21
Complexity:411
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes