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Molecule
Melengestrol Acetate
CAS: 2919-66-6 · C25H32O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2919-66-6
- Molecular Formula
- C25H32O4
- Molecular Mass
- 396.53 g/mol
Identifiers
CAS Registry Number
2919-66-6
SMILES
C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O
InChI Key
UDKABVSQKJNZBH-DWNQPYOZSA-N
InChI
InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1
Names and Synonyms
- Melengestrol Acetate Synonym
- Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-16-methylene- Synonym
- Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-16-methylene-, acetate Synonym
- 17-(Acetyloxy)-6-methyl-16-methylenepregna-4,6-diene-3,20-dione Synonym
- BDH 1921 Synonym
- 5373 Synonym
- NSC-70968 Synonym
- 17α-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione Synonym
- 6-Dehydro-16-methylene-17α-hydroxy-6α-methylprogesterone acetate Synonym
- 17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate Synonym
- Melengestrol acetate Synonym
- MGA Synonym
- 6-Methyl-16-methylene-17α-hydroxy-4,6-pregnadiene-3,20-dione 17-acetate Synonym
- 17-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione Synonym
- MGA 100 (steroid) Synonym
- MGA 100 Synonym
- Heifermax 500 Synonym
- MGA 264 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 396.53 g/mol | CAS Common Chemistry |
| 396.52700000000016 g/mol | RDKit | |
| 396.527 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1(C(=O)C)C(=C)CC2C3C=C(C4=CC(=O)CCC4(C)C3CCC21C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UDKABVSQKJNZBH-DWNQPYOZSA-N | CAS Common Chemistry |
| Melting Point | 224-226 °C | CAS Common Chemistry |
| Name | Melengestrol acetate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.440000000000005 Ų | RDKit |
| 60.44 Ų | RDKit | |
| LogP | 4.741400000000004 | RDKit |
| 4.7414 | RDKit | |
| Molar Refractivity | 110.93400000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.64 | RDKit |
| Exact Mass | 396.23005950399994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 396.53 g/mol. Edit any field — others recompute live.
