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Levonorgestrel
CAS: 797-63-7 | C21H28O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 797-63-7
- Molecular Formula
- C21H28O2
- Molecular Mass
- 312.45 g/mol
Identifiers
CAS Registry Number
797-63-7
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChI Key
WWYNJERNGUHSAO-XUDSTZEESA-N
InChI
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
Names and Synonyms
- Levonorgestrel Common Name
- 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17α)- Synonym
- 18,19-Dinor-17α-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy- Synonym
- (17α)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one Synonym
- 13-Ethyl-17α-ethynylgon-4-en-17β-ol-3-one Synonym
- 13β-Ethyl-17α-ethynyl-17β-hydroxygon-4-en-3-one Synonym
- 19-Nortestosterone, 17-ethynyl-18-methyl- Synonym
- 17β-Hydroxy-18-methyl-19-nor-17α-pregn-4-en-20-yn-3-one Synonym
- 18-Methyl-17α-ethynyl-19-nortestosterone Synonym
- 17α-Ethynyl-17-hydroxy-18-methylestr-4-en-3-one Synonym
- 17α-Ethynyl-18-methyl-19-nortestosterone Synonym
- 13-Ethyl-17α-ethynyl-17-hydroxygon-4-en-3-one Synonym
- 13-Ethyl-17-hydroxy-18,19-dinor-17α-pregn-4-en-20-yn-3-one Synonym
- 17α-Ethynyl-18-homo-19-nortestosterone Synonym
- 13-Ethyl-17-ethynyl-17β-hydroxy-4-gonen-3-one Synonym
- 17α-Ethynyl-13β-ethyl-3-oxo-4-estren-17β-ol Synonym
- Levonorgestrel Synonym
- 17α-Ethynyl-13-ethyl-19-nortestosterone Synonym
- Norplant Synonym
- Follistrel Synonym
- D-(-)-Norgestrel Synonym
- Norplant 2 Synonym
- 18-Methylnorethindrone Synonym
- Microluton Synonym
- (-)-Norgestrel Synonym
- D-Norgestrel Synonym
- Norplant II Synonym
- Levonova Synonym
- Jadelle Synonym
- Norlevo Synonym
- Mirena Synonym
- Norgestrelem Synonym
- Wy 5104 Synonym
- Microlut Synonym
- Norgeston Synonym
- Dexnorgestrel Synonym
- Microval Synonym
- Postinor 2 Synonym
- Lng-IUS Synonym
- d-(17α)-17-Hydroxy-13-ethyl-18,19-dinorpregn-4-en-20-yn-3-one Synonym
- Femilis Synonym
- Femilis Slim Synonym
- Sino-implant (II) Synonym
- Plan B One-Step Synonym
- Skyla Synonym
- Jaydess Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 312.45 g/mol | CAS Common Chemistry |
| 312.4530000000001 g/mol | RDKit | |
| 312.453 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C2CCC3C(CCC4(CC)C3CCC4(O)C#C)C2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WWYNJERNGUHSAO-XUDSTZEESA-N | CAS Common Chemistry |
| Melting Point | 235-237 °C | CAS Common Chemistry |
| Name | Levonorgestrel | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.8826000000000036 | RDKit |
| 3.8826 | RDKit | |
| Molar Refractivity | 90.49280000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7619 | RDKit |
| 0.76 | chempirical lib | |
| Exact Mass | 312.208930136 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
Related
Related molecules
Other compounds with formula C21H28O2.
