84371-65-3
Product Name:
Mifepristone
Formula:
C29H35NO2
Synonyms:
(11β,17β)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one, RU-486;11β-(4-Dimethyl-amino)-phenyl-17β-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one;Mifepristone - CAS 84371-65-3 - Calbiochem;RU-38486;RU-486
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Yellow powder |
| Melting Point | 191-196 °C |
| Solubility | 7 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | 8.0X10-14 mm Hg at 25 °C /Estimated/ |
| LogP | 4.5 |
| Henry's Law Constant | Henry's Law constant = 5.0X10-13 atm-cu m/mole at 25 °C /Estimated/ |
| Optical Rotation | Specific optical rotation: +138.5 deg at 20 °C/D (concentration by volume = 0.5 g in 100 ml chloroform) |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 5.1X10-10 cu cm/molec-sec at 25 °C /Estimated/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H360:Reproductive toxicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 429.6 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 429.266779359 g/mol |
| Monoisotopic Mass | 429.266779359 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 921 |
| 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
Mifepristone is a 3-oxo-Delta(4) steroid, an acetylenic compound and a tertiary amino compound. It has a role as an abortifacient, a contraceptive drug, a synthetic oral contraceptive and a hormone antagonist. It derives from a hydride of an estrane.