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Methylprednisolone Acetate
CAS: 53-36-1 | C24H32O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53-36-1
Molecular Formula:
C24H32O6
Molecular Mass:
416.51 g/mol
Names and Synonyms:
Methylprednisolone Acetate
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6α,11β)-
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-, 21-acetate
(6α,11β)-21-(Acetyloxy)-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione
Depo-Medrol
Medrol acetate
6α-Methylprednisolone acetate
Urbason Crystal Suspension
MPA
Methylprednisolone acetate
U 8210
Methylprednisolone 21-acetate
6α-Methylprednisolone 21-acetate
21-Acetoxy-11β,17-dihydroxy-6α-methylpregna-1,4-diene-3,20-dione
Depo-methylprednisolone
6-Methylprednisolone acetate
Depo-Medrate
Depo-Medrone
DepMedalone 40
Vetacortyl
DepMedalone 80
Mepred
NSC 48985
11β,17α,21-Trihydroxy-6α-methylpregna-1,4-diene-3,20-dione 21-acetate
Identifiers:
SMILES:
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI:
InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1
Key Properties
Melting Point
205-208 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 416.51 g/mol | CAS Common Chemistry |
| 416.5140000000002 g/mol | RDKit | |
| 416.21988874399995 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)C(C)CC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(O)C32)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PLBHSZGDDKCEHR-LFYFAGGJSA-N | CAS Common Chemistry |
| Melting Point | 205-208 °C | CAS Common Chemistry |
| Name | Methylprednisolone acetate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.90000000000002 Ų | RDKit |
| LogP | 2.3744000000000005 | RDKit |
| Molar Refractivity | 109.14260000000006 | RDKit |
