- 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5046 | Relay (1.0) Calculated Property | |
| ΔfG° | 177.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.80; -4.79] |
|
|
| log10WS | -4.79 | Aq. Solubility Prediction | |
| log10WS | -4.80 | Estimated Solubility | |
| logPoct/wat | 4.063 | Crippen Calculated Property | |
| McVol | 273.510 | ml/mol | McGowan Calculated Property |
| Pc | 1720.31 | kPa | Joback Calculated Property |
| Tboil | 675.38 | K | Relay (1.0) Calculated Property |
| Tc | 941.26 | K | Relay (1.0) Calculated Property |
| Tfus | 434.65 | K | Aq. Solubility Prediction |
| Vc | 0.939 | m3/kmol | Relay (1.0) 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
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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