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Norethindrone
CAS: 68-22-4 | C20H26O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68-22-4
Molecular Formula:
C20H26O2
Molecular Weight:
298.42600000000004 g/mol
Names and Synonyms:
Norethindrone
Norethindrone
Noretisterone Dak
Nor-QD
Menzol
Mini-pill
Norcolut
Utovlan
Conludag
Normapause
Triella
17α-Ethynyl-3-oxo-4-estren-17β-ol
Norgestin
Norfor
Proluteasi
NSC 9564
Gestest
Anovule
17β-Hydroxy-17α-ethynylestr-4-en-3-one
Ethynylnortestosterone
SC 4640
Noralutin
Norluten
Micronovum
Mini-Pe
Micronett
Micronor
Conludaf
Norpregneninolone
19-Norandrost-4-en-3-one, 17α-ethynyl-17β-hydroxy-
17α-Ethynyl-17-hydroxyest-4-en-3-one
17α-Ethynyl-17-hydroxyestr-4-en-3-one
Estr-4-ene-17α-ethynyl-17β-ol-3-one
Ethinylnortestosterone
Norethynodrone
Primolut N
19-Nortestosterone, 17-ethynyl-
Norluton
Norlutin
19-Nor-17α-ethynyltestosterone
19-Nor-17α-ethynyl-17β-hydroxy-4-androsten-3-one
19-Nor-17α-ethynylandrosten-17β-ol-3-one
Norethisterone
Norethisteron
17α-Ethynyl-19-nortestosterone
17-Hydroxy-19-nor-17α-pregn-4-en-20 yn-3-one
17α-Ethynyl-19-nor-androst-4-en-17β-ol-3-one
17α-Ethynyl-17β-hydroxy-19-norandrost-4-en-3-one
17α-Ethynyl-17β-hydroxyestr-4-en-3-one
17α-Ethynyl-17-hydroxy-4-estrene-3-one
17α-Ethinyl-19-nortestosterone
17α-Ethinyl-17β-hydroxy-Δ4-estren-3-one
17α-Ethinylestr-4-en-17β-ol-3-one
(17α)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one
19-Nor-17α-pregn-4-en-20-yn-3-one, 17-hydroxy-
19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-, (17α)-
Identifiers:
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:
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 298.43 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=C2CCC3C(CCC4(C)C3CCC4(O)C#C)C2CC1 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=VIKNJXKGJWUCNN-XGXHKTLJSA-N None | Legacy Database |
| cas-melting-point | 203-204 °C None | Legacy Database |
| cas-name | Norethindrone None | Legacy Database |
| LogP | 3.4925000000000024 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 298.42600000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 298.193280072 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 85.87580000000005 | RDKit |
