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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
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6α)-
Pregn-4-ene-3,20-dione, 17-hydroxy-6α-methyl-, acetate
Progesterone, 17-hydroxy-6α-methyl-, acetate
(6α)-17-(Acetyloxy)-6-methylpregn-4-ene-3,20-dione
17α-Acetoxy-6α-methylpregn-4-ene-3,20-dione
17α-Acetoxy-6α-methylprogesterone
Depo-Provera
Farlutin
17α-Hydroxy-6α-methylpregn-4-ene-3,20-dione acetate
17α-Hydroxy-6α-methylprogesterone acetate
MAP
Medroxyprogesterone acetate
6α-Methyl-17α-acetoxy-Δ4-pregnene-3,20-dione
6α-Methyl-17α-acetoxypregn-4-ene-3,20-dione
6α-Methyl-17α-hydroxyprogesterone acetate
MPA
Oragest
Perlutex
Provera
Repromix
U 8839
Depomedroxyprogesterone acetate
6α-Methyl-17-acetoxyprogesterone
Veramix
Progevera
Lutopolar
Lutoral
Metigestrona
Proverone
Sirprogen
Gestapuran
Prodasone
Progestalfa
6α-Methyl-17α-Hydroxy-4-pregnene-3,20-dione acetate
Depot-medroxyprogesterone acetate
DMPA
Medroxyprogesterone 17-acetate
Repromap
17α-Hydroxy-6α-methyl-4-pregnene-3,20-dione 17-acetate
Clinovir
Depo-progestin
Farlutal
MAP (steroid)
Cycrin
Hysron
Medroprogesterone acetate
Indivina
CBP 1011
Colirest
Hematrol
Perlutex Leo
Amen
Depo-Prodasone
Meprate
Asconale
Med-Pro
Progeston
MPA Gyn 5
Ralovera
Aragest 5
Clinofem
Novo-Medrone
Aragest
Curretab
Sodelut G
Depo-Clinovir
Nadigest
Nidaxin
G-Farlutal
Depo-promone
NSC 21171
NSC 26386
Depo-Ralovera
Progespon
6α-Methyl-17R-hydroxyprogesterone acetate
Depo-SubQ Provera 104
Prempack C
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.655200000000004 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 106.43500000000007 | RDKit |
