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?????
????? ??? ???
?? ??:
50-27-1
???:
?????
???(??):
?????;??????
???:
Estriol
???(??):
(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol;ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL;E 3;OVESTIN;Oestriol;16α-Estriol;16α-Hydroxyestradiol;1,3,5(10)-Estratriene-3,16α,17β-triol, 16α-Hydroxyestradiol, 3,16α,17β-Trihydroxy-1,3,5(10)-estratriene;Estriol,1,3,5(10)-Estratriene-3,16α,17β-triol, 16α-Hydroxyestradiol, 3,16α,17β-Trihydroxy-1,3,5(10)-estratriene;(8R,9S,13S,14S,16R,17R)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol
CBNumber:
CB1687589
???:
C18H24O3
??? ??:
288.38
MOL ??:
50-27-1.mol
MSDS ??:
SDS

????? ??

???
280-282 °C(lit.)
??
D25 +58° ±5° (0.04 g in 1 ml dioxane)
?? ?
370.61°C (rough estimate)
??
1.27
???
58 ° (C=0.4, Dioxane)
???
9℃
?? ??
2-8°C
???
??? ?? ?? ???, ????? ?? ?? ????(96%).
??? ??
Solid
?? ?? (pKa)
pKa 10.38±0.02(H2O t=23±2 Iunspecied) (Uncertain)
??
???? ?????
?? ??
+6127 (95% ethanol)
???
3.2mg/L(25℃)
Merck
3707
BRN
2508172
Henry's Law Constant
7.6×106 mol/(m3Pa) at 25℃, HSDB (2015)
InChI
1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChIKey
PROQIPRRNZUXQM-ZXXIGWHRSA-N
SMILES
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
CAS ??????
50-27-1(CAS DataBase Reference)
NIST
Estriol(50-27-1)
EPA
Estriol (50-27-1)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? T,F
?? ???? ?? 60-61-40-45-39/23/24/25-23/24/25-11
????? 53-22-36/37/39-45-36/37-16
????(UN No.) UN1230 - class 3 - PG 2 - Methanol, solution
WGK ?? 3
RTECS ?? KG8225000
F ?????? 8-10
HS ?? 29072990
???? ??? 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Carc. 2
Lact.
Repr. 1A
?? ?? ??? 50-27-1(Hazardous Substances Data)
?? LD50 oral in rat: > 2gm/kg
????(GHS): Health Hazard (GHS08)
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H351 ?? ??? ??? ??? (????? ?? ???? ???? ???? ??? ?? ????? ??? ???? ??) ??? ?? ?? 2 ?? P201, P202, P281, P308+P313, P405,P501
H362 ??? ?? ???? ??? ? ?? ???? ??,?? ?? ???? ??? ?? ?? ???? P201, P260, P263, P264, P270,P308+P313
??????:
P201 ?? ? ?? ???? ?????.
P202 ?? ?? ?? ??? ?? ???? ??? ???? ???.
P260 ??·?·??·???·??·...·????? ???? ???.
P263 ??·?? ???? ???? ???.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P308+P313 ?? ?? ??? ???? ???? ??· ??? ????.
NFPA 704
3
0 0

????? C??? ??, ??, ??

??

Estriol is significantly less active than estradiol; however, it has a selective ability to stimulate blood flow and restoration of genital epithelium. In addition, using this drug reduces mental symptoms of menopausal syndrome. It is used in the premenopausal and menopausal periods, for skin atrophy and signs of genital degeneration, and so on.

??? ??

White or almost white, crystalline powder.

??

A metabolite of Estradiol. An estrogenic metabolite considerably less potent than the hormone Estradiol

??

ChEBI: A 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16alpha,17beta-stereoisomer).

?? ??

Estriol, estra-1,3,5(10)-triene-3,16 ,17 -triol, is available for compounding into several differentformulations for use in HRT. It can be used alone or in combinationswith estradiol (Bi-Est) or with estradiol and estrone(Tri-Est).

???

A carcinogen (OSHA).

Safety Profile

Suspected carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic, and teratogenic data. Other experimental reproductive effects. Mutation data reported. A steroid drug for the treatment of menopause. When heated to decomposition it emits acrid smoke and irritating fumes.

Purification Methods

Crystallise estriol from EtOH/ethyl acetate. Also purify it by countercurrent distribution with cyclohexane/EtOAc (1:1) and EtOH/H2O (1:1). The UV (EtOH) has max at 280nm ( 2,090 M-1cm-1). [Huffmann & Lott 71 719 1949, Leeds et al. J Am Chem Soc 76 2943 1954, Beilstein 6 IV 7550.]

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