Chemical Properties of Norethindrone Acetate (CAS 51-98-9)

InChI

InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22+/m1/s1

InChI Key

IMONTRJLAWHYGT-FTMCFMMZSA-N

Formula

C22H28O2

SMILES

C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C

Molecular Weight¹

324.46

CAS

51-98-9

Other Names

• (17-«alpha»)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one
• (17-«alpha»)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one
• 17-Acetoxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one
• 17-Acetoxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one
• 17-Acetyloxy(17«alpha»)-19-norpregn-4-estren-17«beta»-ol-acetate-3-one
• 17-Acetyloxy(17«alpha»)-19-norpregn-4-estren-17«beta»-ol-acetate-3-one
• 17-Hydroxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one acetate
• 17-Hydroxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one acetate
• 17«alpha»-Ethinyl-19-nortestosterone 17«beta»-acetate
• 17«alpha»-Ethinyl-19-nortestosterone acetate
• 17«alpha»-Ethynyl-17«beta»-hydroxyestr-4-en-3-one acetate
• 17«alpha»-Ethynyl-19-nortestosterone acetate
• 17«alpha»-Ethynyl-3-oxoestr-4-en-17«beta»-yl acetate
• 17«beta»-Acetoxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one
• 17«beta»-Hydroxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one acetate
• 17«alpha»-Ethinyl-19-nortestosterone 17«beta»-acetate
• 17«alpha»-Ethinyl-19-nortestosterone acetate
• 17«alpha»-Ethynyl-17«beta»-hydroxyestr-4-en-3-one acetate
• 17«alpha»-Ethynyl-19-nortestosterone acetate
• 17«alpha»-Ethynyl-3-oxoestr-4-en-17«beta»-yl acetate
• 17«beta»-Acetoxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one
• 17«beta»-Hydroxy-19-nor-17«alpha»-pregn-4-en-20-yn-3-one acetate
• 19-Nor-17«alpha»-pregn-4-en-20-yn-3-one, 17-hydroxy-, acetate
• 19-Nor-17«alpha»-pregn-4-en-20-yn-3-one, 17-hydroxy-, acetate
• 19-Norethisterone acetate
• 19-Norethynyltestosterone acetate
• 19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17«alpha»)-
• 19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17«alpha»)-
• 19-nor-17«alpha»-Pregn-4-en-20-yn-3-one, 17-acetoxy-
• 19-nor-17«alpha»-Pregn-4-en-20-yn-3-one, 17-acetoxy-
• Aygestin
• ENTA
• Estr-4-en-3-one, 17«alpha»-ethynyl-17-hydroxy-, acetate
• Estr-4-en-3-one, 17«alpha»-ethynyl-17-hydroxy-, acetate
• Milli-Anovlar
• Milligynon
• Miniphase
• NSC 22844
• Norethindrone 17-acetate
• Norethisteron acetate
• Norethisterone acetate
• Norethynyltestosterone acetate
• Norethysterone acetate
• Norlutate
• Norlutin acetate
• Norlutin-A
• Norlutine acetate
• Orlutate
• Primolut-Nor
• Progylut
• SH 420
• SH-420C
• Testerone, 19-nor-17alpha-ethynyl-, acetate

• 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_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	177.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-291.50	kJ/mol	Joback Calculated Property
ΔfusH°	30.43	kJ/mol	Joback Calculated Property
ΔvapH°	76.37	kJ/mol	Joback Calculated Property
log10WS	[-4.80; -4.79]
log10WS	-4.79		Aq. Sol...
log10WS	-4.80		Estimat...
logPoct/wat	4.063		Crippen Calculated Property
McVol	273.510	ml/mol	McGowan Calculated Property
Pc	1720.31	kPa	Joback Calculated Property
Tboil	880.58	K	Joback Calculated Property
Tc	1137.58	K	Joback Calculated Property
Tfus	434.65	K	Aq. Sol...
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[949.34; 1121.35]	J/mol×K	[880.58; 1137.58]
Cp,gas	949.34	J/mol×K	880.58	Joback Calculated Property
Cp,gas	976.10	J/mol×K	923.41	Joback Calculated Property
Cp,gas	1003.09	J/mol×K	966.25	Joback Calculated Property
Cp,gas	1030.71	J/mol×K	1009.08	Joback Calculated Property
Cp,gas	1059.35	J/mol×K	1051.91	Joback Calculated Property
Cp,gas	1089.43	J/mol×K	1094.75	Joback Calculated Property
Cp,gas	1121.35	J/mol×K	1137.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Norethindrone Acetate.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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