Chemical Properties of 17-ACETOXY-6-CHLORO-4,6-PREGNADIENE-3,20-DIONE

InChI

InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3

InChI Key

QMBJSIBWORFWQT-UHFFFAOYSA-N

Formula

C23H29ClO4

SMILES

CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C

Molecular Weight¹

404.93

Other Names

• 17-(Acetyloxy)-6-chloropregna-4,6-diene-3,20-dione
• 17-Acetoxy-6-chloro-6-dehydroprogesterone
• 17-Acetoxy-6-chloropregna-4,6-diene-3,20-dione
• 17-«alpha»-Acetoxy-6-chloro-6,7-dehydroprogesterone
• 17«alpha»-Acetoxy-6-chloro-4,6-pregnadiene-3,20-dione
• 17«alpha»-Acetoxy-6-chloro-6-dehydroprogesterone
• 17«alpha»-Acetoxy-6-chloropregna-4,6-diene-3,20-dione
• 6-Chloro-17-acetoxy-4,6-pregnadiene-3,20-dione
• 6-Chloro-17-hydroxypregna-4,6-diene-3,20-dione acetate
• 6-Chloro-17«alpha»-acetoxy-4,6-pregnadiene-3,20-dione
• 6-Chloro-17«alpha»-hydroxy-«DELTA»6-progesterone acetate
• 6-Chloro-17«alpha»-hydroxypregna-4,6-diene-3,20-dione acetate
• 6-Chloro-6,7-dehydro-17-acetoxyprogesterone
• 6-Chloro-6-dehydro-17-acetoxyprogesterone
• 6-Chloro-6-dehydro-17«alpha»-acetoxyprogesterone
• 6-Chloro-6-dehydro-17«alpha»-hydroxyprogesterone acetate
• 6-Chloro-pregna-4,6-dien-17«alpha»-ol-3,20-dione acetate
• 6-Chloro-«DELTA»- 4,6-pregnadiene-17«alpha»-ol-3,20-dione 17-acetate
• 6-Chloro-«DELTA»6-(17«alpha»)acetoxyprogesterone
• 6-Chloro-«DELTA»6-17-acetoxyprogesterone
• 6-Chloro-«DELTA»6-17«alpha»-hydroxyprogesterone acetate
• 6-Chloro-«DELTA»6-dehydro-17-acetoxyprogesterone
• 6-Dehydro-6-chloro-17-«alpha»-acetoxyprogesterone
• Ay 13390-6
• Bovisynchron
• C-Quens
• CAP
• Cero
• Chloramdinone acetate
• Chlordion
• Chlormadinon acetate
• Chlormadinone
• Chlormadinone acetate
• Chlormadinonu
• Chloromadinone acetate
• Chronosyn
• Clordion
• Cyclonorm
• Fertiletten
• Gestafortin
• Lormin
• Luteran
• Lutinyl
• Lutoral
• Lutoral (Syntex)
• Matrol
• Menstridyl
• Minipill
• NSC-92338
• Natrol
• Normenon
• Pregna-4,6-diene-3,20-dione, 17-(acetoxy)-6-chloro-
• Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-
• Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-, acetate
• Progesterone, 6-chloro-6-dehydro-17-hydroxy-, acetate
• Prostal
• RS 1280
• Retex
• ST 155
• Skedule
• Skedule TM
• Synchrosyn
• Synchrosyn P
• Traslan
• Verton
• «DELTA»6-6-Chloro-17«alpha»-acetoxyprogesterone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.10; 1104.92]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.56440e+02
Coefficient B			3.09188e+00
Coefficient C			-2.86678e-03
Coefficient D			1.13626e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.10	J/mol×K	273.00	Calculated Property
Cp,gas	528.91	J/mol×K	353.78	Calculated Property
Cp,gas	639.04	J/mol×K	434.56	Calculated Property
Cp,gas	731.09	J/mol×K	515.33	Calculated Property
Cp,gas	808.65	J/mol×K	596.11	Calculated Property
Cp,gas	875.32	J/mol×K	676.89	Calculated Property
Cp,gas	934.69	J/mol×K	757.67	Calculated Property
Cp,gas	990.35	J/mol×K	838.44	Calculated Property
Cp,gas	1045.89	J/mol×K	919.22	Calculated Property
Cp,gas	1104.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 17-ACETOXY-6-CHLORO-4,6-PREGNADIENE-3,20-DIONE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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