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 |
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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 |
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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.