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246021-20-5

246021-20-5 Structure

246021-20-5 Structure
IdentificationBack Directory
[Name]

9,11-Didehydroestriol
[CAS]

246021-20-5
[Synonyms]

Estriol derivative 1
9 11-DIDEHYDROESTRIOL
Estriol EP Impurity A
Estriol Related Compound A
Estriol USP Related Compound A
Conjugated Estrogens EP Impurity A
Estra-1,3,5(10),9(11)-tetraene-3,16
estra-1,3,5,9(11)-tetraene-3,16α,17β-triol
Estra-1,3,5,9(11)-tetraene-3,16a,17b-triol
Estriol Impurity 1 (Estriol EP Impurity A)
Estriol EP Impurity A (Estriol USP Related Compound A)
Estra-1,3,5(10),9(11)-tetraene-3,16,17-triol, (16α,17β)-
(8S,13S,14S,16R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,16,17-triol
[Molecular Formula]

C18H22O3
[MDL Number]

MFCD04974566
[MOL File]

246021-20-5.mol
[Molecular Weight]

286.37
Chemical PropertiesBack Directory
[Boiling point ]

491.9±45.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

-10 to -25°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

10.37±0.70(Predicted)
[color ]

Off-White to Pale Yellow
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical
[InChI]

1S/C18H22O3/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/h3,5-6,8,14-17,19-21H,2,4,7,9H2,1H3/t14-,15+,16-,17+,18+/m1/s1
[InChIKey]

ZWHFPHWLYUMTGY-WKULXVSPSA-N
[SMILES]

O[C@@H]1[C@@]2([C@H]([C@@H]3CCc4c(ccc(c4)O)C3=CC2)C[C@H]1O)C
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

62-63
[Safety Statements ]

36/37
[WGK Germany ]

3
[F ]

10
[HS Code ]

2937230000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
Hazard InformationBack Directory
[Uses]

9,11-Didehydrooestriol (Estriol EP Impurity A) is an impurity of Estriol (E888960), a metabolite of Estradiol (E888000). An estrogenic metabolite considerably less potent than the hormone Estradiol (E888000).
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