566-76-7
Product Name:
1,3,5[10]-ESTRATRIENE-3,16ALPHA-DIOL-17-ONE
Formula:
C18H22O3
Synonyms:
1,3,5(10)-Estratriene-3,16α-diol-17-one;16α-3,16-Dihydroxyestra-1,3,5(10)-trien-17-one
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 286.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 286.15689456 g/mol |
| Monoisotopic Mass | 286.15689456 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 448 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
16alpha-hydroxyestrone is the 16alpha-hydroxy derivative of estrone; a minor estrogen metabolite. It has a role as a mouse metabolite, a human blood serum metabolite, an estrogen and a human urinary metabolite. It is a 16alpha-hydroxy steroid, a secondary alpha-hydroxy ketone, a 3-hydroxy steroid and a 17-oxo steroid. It is functionally related to an estrone.