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Medroxyprogesterone Acetate
CAS: 71-58-9 | C24H34O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 71-58-9
- Molecular Formula
- C24H34O4
- Molecular Mass
- 386.53 g/mol
Identifiers
CAS Registry Number
71-58-9
SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI Key
PSGAAPLEWMOORI-PEINSRQWSA-N
InChI
InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
Names and Synonyms
- Medroxyprogesterone Acetate Synonym
- Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6α)- Synonym
- Pregn-4-ene-3,20-dione, 17-hydroxy-6α-methyl-, acetate Synonym
- Progesterone, 17-hydroxy-6α-methyl-, acetate Synonym
- (6α)-17-(Acetyloxy)-6-methylpregn-4-ene-3,20-dione Synonym
- 17α-Acetoxy-6α-methylpregn-4-ene-3,20-dione Synonym
- 17α-Acetoxy-6α-methylprogesterone Synonym
- Depo-Provera Synonym
- Farlutin Synonym
- 17α-Hydroxy-6α-methylpregn-4-ene-3,20-dione acetate Synonym
- 17α-Hydroxy-6α-methylprogesterone acetate Synonym
- MAP Synonym
- Medroxyprogesterone acetate Synonym
- 6α-Methyl-17α-acetoxy-Δ4-pregnene-3,20-dione Synonym
- 6α-Methyl-17α-acetoxypregn-4-ene-3,20-dione Synonym
- 6α-Methyl-17α-hydroxyprogesterone acetate Synonym
- MPA Synonym
- Oragest Synonym
- Perlutex Synonym
- Provera Synonym
- Repromix Synonym
- U 8839 Synonym
- Depomedroxyprogesterone acetate Synonym
- 6α-Methyl-17-acetoxyprogesterone Synonym
- Veramix Synonym
- Progevera Synonym
- Lutopolar Synonym
- Lutoral Synonym
- Metigestrona Synonym
- Proverone Synonym
- Sirprogen Synonym
- Gestapuran Synonym
- Prodasone Synonym
- Progestalfa Synonym
- 6α-Methyl-17α-Hydroxy-4-pregnene-3,20-dione acetate Synonym
- Depot-medroxyprogesterone acetate Synonym
- DMPA Synonym
- Medroxyprogesterone 17-acetate Synonym
- Repromap Synonym
- 17α-Hydroxy-6α-methyl-4-pregnene-3,20-dione 17-acetate Synonym
- Clinovir Synonym
- Depo-progestin Synonym
- Farlutal Synonym
- MAP (steroid) Synonym
- Cycrin Synonym
- Hysron Synonym
- Medroprogesterone acetate Synonym
- Indivina Synonym
- CBP 1011 Synonym
- Colirest Synonym
- Hematrol Synonym
- Perlutex Leo Synonym
- Amen Synonym
- Depo-Prodasone Synonym
- Meprate Synonym
- Asconale Synonym
- Med-Pro Synonym
- Progeston Synonym
- MPA Gyn 5 Synonym
- Ralovera Synonym
- Aragest 5 Synonym
- Clinofem Synonym
- Novo-Medrone Synonym
- Aragest Synonym
- Curretab Synonym
- Sodelut G Synonym
- Depo-Clinovir Synonym
- Nadigest Synonym
- Nidaxin Synonym
- G-Farlutal Synonym
- Depo-promone Synonym
- NSC 21171 Synonym
- NSC 26386 Synonym
- Depo-Ralovera Synonym
- Progespon Synonym
- 6α-Methyl-17R-hydroxyprogesterone acetate Synonym
- Depo-SubQ Provera 104 Synonym
- Prempack C Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 386.53 g/mol | CAS Common Chemistry |
| 386.53200000000027 g/mol | RDKit | |
| 386.532 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1(C(=O)C)CCC2C3CC(C4=CC(=O)CCC4(C)C3CCC21C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PSGAAPLEWMOORI-PEINSRQWSA-N | CAS Common Chemistry |
| Melting Point | 207-209 °C | CAS Common Chemistry |
| Name | Medroxyprogesterone acetate | CAS Common Chemistry |
| Heavy Atom Count | 28 | 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 | 4.655200000000004 | RDKit |
| 4.6552 | RDKit | |
| Molar Refractivity | 106.43500000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7917 | RDKit |
| 0.79 | chempirical lib | |
| Exact Mass | 386.245709568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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.
