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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 Weight:
386.53200000000027 g/mol
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
Identifiers:
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:
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
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 | 386.53 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OC1(C(=O)C)CCC2C3CC(C4=CC(=O)CCC4(C)C3CCC21C)C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=PSGAAPLEWMOORI-PEINSRQWSA-N None | Legacy Database |
| cas-melting-point | 207-209 °C None | Legacy Database |
| cas-name | Medroxyprogesterone acetate None | Legacy Database |
| LogP | 4.655200000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 386.53200000000027 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 386.245709568 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 60.440000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 106.43500000000007 | RDKit |