Chemical Properties of Mifepristone (CAS 84371-65-3)

InChI

InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3

InChI Key

VKHAHZOOUSRJNA-UHFFFAOYSA-N

Formula

C29H35NO2

SMILES

CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C

Molecular Weight¹

429.59

CAS

84371-65-3

Other Names

• 11.beta.-[p-(Dimethylamino)phenyl]-17.beta.-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
• 11«beta»-[p-(Dimethylamino)phenyl]-17«beta»-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
• 17«beta»-hydroxy-11«beta»-[4-(dimethylamino)-phenyl]-17«alpha»-(prop-1-ynyl)-estra-4,9-dien-3-one (Mifepristone)
• Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)-, (11«beta»,17«beta»)-
• Mifegyne
• RU-38486
• RU-486

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1373.91; 1667.22]	J/mol×K	[1133.40; 1397.27]
Cp,gas	1373.91	J/mol×K	1133.40	Joback Calculated Property
Cp,gas	1413.71	J/mol×K	1177.38	Joback Calculated Property
Cp,gas	1456.46	J/mol×K	1221.36	Joback Calculated Property
Cp,gas	1502.68	J/mol×K	1265.34	Joback Calculated Property
Cp,gas	1552.88	J/mol×K	1309.32	Joback Calculated Property
Cp,gas	1607.55	J/mol×K	1353.29	Joback Calculated Property
Cp,gas	1667.22	J/mol×K	1397.27	Joback Calculated Property
ΔfusH	31.70	kJ/mol	467.10	NIST

Similar Compounds

Find more compounds similar to Mifepristone.

Mixtures

• Methyl Alcohol + Mifepristone
• Ethanol + Mifepristone
• 1-Propanol + Mifepristone
• Isopropyl Alcohol + Mifepristone
• 1-Butanol + Mifepristone
• Acetone + Mifepristone
• Ethyl Acetate + Mifepristone
• Tetrahydrofuran + Mifepristone
• Methyl Alcohol + Water + Mifepristone

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Measurement and Correlation of the Solubility of Mifepristone in Eight Pure and Water + Methanol Mixed Solvents at Temperatures from 273.15 to 318.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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