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Molecule
Prednisolone Sodium Succinate
CAS: 1715-33-9 · C25H32NaO8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1715-33-9
- Molecular Formula
- C25H32NaO8
- Molecular Mass
- 483.51 g/mol
Identifiers
CAS Registry Number
1715-33-9
SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O.[Na]
InChI Key
BKKKAAMXMKMGER-CODXZCKSSA-N
InChI
InChI=1S/C25H32O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30);/t16-,17-,18-,22+,23-,24-,25-;/m0./s1
Names and Synonyms
- Prednisolone Sodium Succinate Synonym
- Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, monosodium salt, (11β)- Synonym
- Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(hydrogen succinate), monosodium salt Synonym
- Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-succinate, monosodium salt Synonym
- Succinic acid, 21-monoester with 11β,17,21-trihydroxypregna-1,4-diene-3,20-dione, monosodium salt Synonym
- Meticortelane Synonym
- Prednisolone sodium 21-hemisuccinate Synonym
- Sodium prednisolone 21-hemisuccinate Synonym
- Solu-Decortin Synonym
- Prednisolone sodium hemisuccinate Synonym
- Prednisolone 21-hemisuccinate sodium Synonym
- Prednisolone 21-sodium succinate Synonym
- Prednisolone sodium succinate Synonym
- Prednisolone 21-hemisuccinate sodium salt Synonym
- Di-Adreson F-aquosum Synonym
- Prednisolone 21-succinate sodium Synonym
- Prednisolone 21-succinate sodium salt Synonym
- Prednisolone hemisuccinate sodium salt Synonym
- Predonine Soluble Synonym
- Solu-Delta-Cortef Synonym
- Solu-Decortin H Synonym
- Meticotelone Soluble Synonym
- NSC 9151 Synonym
- Prednine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 483.51 g/mol | CAS Common Chemistry |
| 483.51300000000043 g/mol | RDKit | |
| 483.513 g/mol | RDKit | |
| 484.521 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)CCC(=O)O)C4(C)CC(O)C32)C | CAS Common Chemistry |
| InChI | InChI=1S/C25H32O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30);/t16-,17-,18-,22+,23-,24-,25-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BKKKAAMXMKMGER-CODXZCKSSA-N | CAS Common Chemistry |
| Name | Prednisolone sodium succinate | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 138.2 Ų | RDKit |
| LogP | 1.5924999999999998 | RDKit |
| 1.5925 | RDKit | |
| Molar Refractivity | 121.54540000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.68 | RDKit |
| Exact Mass | 483.19948726399986 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
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MW = 483.51 g/mol. Edit any field — others recompute live.
