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9,11-Didehydroestriol

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9,11-Didehydroestriol Basic information

Product Name:
9,11-Didehydroestriol
Synonyms:
  • (8S,13S,14S,16R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,16,17-triol
  • 9 11-DIDEHYDROESTRIOL
  • estra-1,3,5,9(11)-tetraene-3,16α,17β-triol
  • Estra-1,3,5,9(11)-tetraene-3,16a,17b-triol
  • Conjugated Estrogens EP Impurity A
  • Estriol EP Impurity A
  • Estra-1,3,5(10),9(11)-tetraene-3,16
  • Estra-1,3,5(10),9(11)-tetraene-3,16,17-triol, (16α,17β)-
CAS:
246021-20-5
MF:
C18H22O3
MW:
286.37
Mol File:
246021-20-5.mol
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9,11-Didehydroestriol Chemical Properties

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)
pka
10.37±0.70(Predicted)
form 
Solid
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
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Safety Information

Hazard Codes 
Xn
Risk Statements 
62-63
Safety Statements 
36/37
WGK Germany 
3
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
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9,11-Didehydroestriol Usage And Synthesis

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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