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Molecule
Norethindrone
CAS: 68-22-4 · C20H26O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 68-22-4
- Molecular Formula
- C20H26O2
- Molecular Mass
- 298.43 g/mol
Identifiers
CAS Registry Number
68-22-4
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChI Key
VIKNJXKGJWUCNN-XGXHKTLJSA-N
InChI
InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
Names and Synonyms
- Norethindrone Common Name
- 19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-, (17α)- Synonym
- 19-Nor-17α-pregn-4-en-20-yn-3-one, 17-hydroxy- Synonym
- (17α)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one Synonym
- 17α-Ethinylestr-4-en-17β-ol-3-one Synonym
- 17α-Ethinyl-17β-hydroxy-Δ4-estren-3-one Synonym
- 17α-Ethinyl-19-nortestosterone Synonym
- 17α-Ethynyl-17-hydroxy-4-estrene-3-one Synonym
- 17α-Ethynyl-17β-hydroxyestr-4-en-3-one Synonym
- 17α-Ethynyl-17β-hydroxy-19-norandrost-4-en-3-one Synonym
- 17α-Ethynyl-19-nor-androst-4-en-17β-ol-3-one Synonym
- 17-Hydroxy-19-nor-17α-pregn-4-en-20 yn-3-one Synonym
- 17α-Ethynyl-19-nortestosterone Synonym
- Norethindrone Synonym
- Norethisteron Synonym
- Norethisterone Synonym
- 19-Nor-17α-ethynylandrosten-17β-ol-3-one Synonym
- 19-Nor-17α-ethynyl-17β-hydroxy-4-androsten-3-one Synonym
- 19-Nor-17α-ethynyltestosterone Synonym
- Norlutin Synonym
- Norluton Synonym
- 19-Nortestosterone, 17-ethynyl- Synonym
- Primolut N Synonym
- Norethynodrone Synonym
- Ethinylnortestosterone Synonym
- Estr-4-ene-17α-ethynyl-17β-ol-3-one Synonym
- 17α-Ethynyl-17-hydroxyestr-4-en-3-one Synonym
- 17α-Ethynyl-17-hydroxyest-4-en-3-one Synonym
- 19-Norandrost-4-en-3-one, 17α-ethynyl-17β-hydroxy- Synonym
- Norpregneninolone Synonym
- Conludaf Synonym
- Micronor Synonym
- Micronett Synonym
- Mini-Pe Synonym
- Micronovum Synonym
- Norluten Synonym
- Noralutin Synonym
- SC 4640 Synonym
- Ethynylnortestosterone Synonym
- 17β-Hydroxy-17α-ethynylestr-4-en-3-one Synonym
- Anovule Synonym
- Gestest Synonym
- NSC 9564 Synonym
- Proluteasi Synonym
- Norfor Synonym
- Norgestin Synonym
- 17α-Ethynyl-3-oxo-4-estren-17β-ol Synonym
- Triella Synonym
- Normapause Synonym
- Conludag Synonym
- Utovlan Synonym
- Norcolut Synonym
- Mini-pill Synonym
- Menzol Synonym
- Nor-QD Synonym
- Noretisterone Dak Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.43 g/mol | CAS Common Chemistry |
| 298.42600000000004 g/mol | RDKit | |
| 298.426 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C2CCC3C(CCC4(C)C3CCC4(O)C#C)C2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VIKNJXKGJWUCNN-XGXHKTLJSA-N | CAS Common Chemistry |
| Melting Point | 203-204 °C | CAS Common Chemistry |
| Name | Norethindrone | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.4925000000000024 | RDKit |
| 3.4925 | RDKit | |
| Molar Refractivity | 85.87580000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 298.193280072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 298.43 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H26O2.
