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84371-65-3

84371-65-3 structural image
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.

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