Basic information
- CAS
77074-42-1- Standard SMILES
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(OC(=O)CCC(=O)O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12- InChIKey
VDJNUHGXSJAWMH-XYMSELFBSA-N- Molecular formula
- C26H34O8
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.22536804
Overview
Mesh term is for the 21-succinate; RN given refers to (6alpha,11beta)-isomer
Names & identifiers
- Preferred name
- Methylprednisolone 17-hemisuccinate
- IUPAC
- 4-[[(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid
- English name
- methylprednisolone 17-hemisuccinate
- Molecular formula
- C26H34O8
- Molecular weight
- 474.54
Names & synonyms
77074-42-1Methylprednisolone 17-hemisuccinateB8V07359RTPregna-1,4-diene-3,20-dione, 17-(3-carboxy-1-oxopropoxy)-11,21-dihydroxy-6-methyl-, (6alpha,11beta)-RefChem:1582936a-Methyl Prednisolone 17-Hemisuccinate6alpha-Methyl Prednisolone 17-Hemisuccinate4-[[(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acidMethylprednisolone Hydrogen Succinate EP Impurity B4-(((6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)oxy)-4-oxobutanoic acidUNII-B8V07359RT(6a,11ss)-17-(3-Carboxy-1-oxopropoxy)-11,21-dihydroxy-6-methylpregna- 1,4-diene-3,20-dione;
Show more names
methylprednisolone impurity 02Methylprednisolone Hemisuccinate RC B6α-Methyl Prednisolone 17-HemisuccinateMethylprednisolone 17-Hydrogen Succinate
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 981
Physicochemical properties
- Melting point
- 174 · 174-178°C
- Boiling point
- 679.6 · 679.6±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Dioxane (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
- pka
- 4.4 · 4.40±0.17(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 8 V07359RT · B8V07359RT
Chemistry & industry
Applications
UsesAn impurity of Methyl Prednisolone (M325934).
Suppliers43 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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