72-33-3
Product Name:
17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether
Formula:
C21H26O2
Synonyms:
(17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol;17α-Ethynyl-1,3,5(10)-estratriene-3,17β-diol 3-methyl ether;17α-Ethynylestradiol 3-methyl ether;3-Methoxy-17α-ethynylestradiol;NSC 84032
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from methanol or acetone |
| Melting Point | 150.5 °C |
| Solubility | In double-distilled water, 0.32 mg/L |
| Vapor Pressure | 9.75x10-9 |
| LogP | log Kow = 4.61 |
| Stability/Shelf Life | The shelf life of Norinyl-1 tablets is 5 years. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 310.4 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 310.193280068 g/mol |
| Monoisotopic Mass | 310.193280068 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 519 |
| 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
Mestranol is a terminal acetylenic compound that is (17alpha)-17-ethynylestra-1(10),2,4-triene substituted by a methoxy group at position 3 and a hydroxy group at position 17. It has a role as a prodrug and a xenoestrogen. It is a 17beta-hydroxy steroid, a terminal acetylenic compound and an aromatic ether. It is functionally related to a 17beta-estradiol.