Norethindrone Acetate
- Formula: C22H28O2
- Molecular weight: 324.4565
- IUPAC Standard InChIKey: IMONTRJLAWHYGT-FTMCFMMZSA-N
- CAS Registry Number: 51-98-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17α)-; Estr-4-en-3-one, 17α-ethynyl-17-hydroxy-, acetate; ENTA; Norethindrone 17-acetate; Norethisteron acetate; Norethisterone acetate; Norethynyltestosterone acetate; Norethysterone acetate; Norlutate; Norlutin acetate; Norlutin-A; Orlutate; Primolut-Nor; SH 420; SH-420C; 17α-Ethinyl-19-nortestosterone acetate; 17α-Ethinyl-19-nortestosterone 17β-acetate; 17α-Ethynyl-17β-hydroxyestr-4-en-3-one acetate; 17α-Ethynyl-19-nortestosterone acetate; 17β-Acetoxy-19-nor-17α-pregn-4-en-20-yn-3-one; 17β-Hydroxy-19-nor-17α-pregn-4-en-20-yn-3-one acetate; 17-Acetoxy-19-nor-17α-pregn-4-en-20-yn-3-one; 17-Acetyloxy(17α)-19-norpregn-4-estren-17β-ol-acetate-3-one; 17-Hydroxy-19-nor-17α-pregn-4-en-20-yn-3-one acetate; 19-nor-17α-Pregn-4-en-20-yn-3-one, 17-acetoxy-; 19-Nor-17α-pregn-4-en-20-yn-3-one, 17-hydroxy-, acetate; 19-Norethisterone acetate; 19-Norethynyltestosterone acetate; (17-α)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one; Norlutine acetate; Aygestin; Milligynon; 17α-Ethynyl-3-oxoestr-4-en-17β-yl acetate; Testerone, 19-nor-17alpha-ethynyl-, acetate; Milli-Anovlar; Miniphase; NSC 22844; Progylut
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Phase change data
Go To: Top, IR Spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 480.0 | K | N/A | Lewis and Enever, 1979 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 438. | K | N/A | Grady, Hays, et al., 1973 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 433.7 | K | N/A | Siemann and Schwarz, 1969 | Uncertainty assigned by TRC = 1. K; TRC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.300 | 480. | Lewis and Enever, 1979, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
56.9 | 480. | Lewis and Enever, 1979, 2 | DH |
IR Spectrum
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Source reference | COBLENTZ NO. 05135 |
Date | 1962/08/26 |
Name(s) | 17-ethynyl-3-oxoestr-4-en-17-yl acetate NORETHISTERONE ACETATE |
State | SOLID (KBr DISC) VS KBr |
Instrument | PERKIN-ELMER 21 (GRATING) |
Instrument parameters | FILTER AT ABOUT 10 MICRONS |
Path length | SPECTRAL CONTAMINATION DUE TO AN UNKNOWN AROUND 3440 CM-1 |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
References
Go To: Top, Phase change data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lewis and Enever, 1979
Lewis, G.A.; Enever, R.P.,
Solution thermodynamics of some potentially long-acting norethindrone derivatives. I. Variation of enthalpies and entropies of fusion with temp.,
Int. J. Pharm., 1979, 22, 203. [all data]
Grady, Hays, et al., 1973
Grady, L.T.; Hays, S.E.; King, R.H.; Klein, H.R.; Mader, W.J.; Wyatt, D.K.; Zimmere, R.O.,
Drug purity profiles,
J. Pharm. Sci., 1973, 62, 459. [all data]
Siemann and Schwarz, 1969
Siemann, H.J.; Schwarz, S.,
J. Prakt. Chem., 1969, 311, 671. [all data]
Lewis and Enever, 1979, 2
Lewis, G.A.; Enever, R.P.,
Solution thermodynamics of some potentially long-acting norethindrone derivatives. I. Variation of enthalpies and entropies of fusion with temperature,
Int. J. Pharm., 1979, 22, 203-214. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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