Corticosterone-21-hemisuccinate
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Basic information
- CAS
10215-77-7- Standard SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)O- InChIKey
KEECMXYFGNWLEA-BIGDRKAKSA-N- Molecular formula
- C25H34O7
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.23045342
Names & identifiers
- Preferred name
- Corticosterone-21-hemisuccinate
- IUPAC
- 4-[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
- English name
- corticosterone-21-hemisuccinate
- Molecular formula
- C25H34O7
- Molecular weight
- 446.53
Names & synonyms
Corticosterone-21-hemisuccinate10215-77-7Corticosterone hemisuccinateIU50V885SPPregn-4-ene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-, (11beta)-RefChem:128083Corticosterone 21-hemisuccinate4-[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acidUNII-IU50V885SPDTXSID40907180orb2815685KAA21577
Show more names
Centhaquin Impurity 39Corticosterone-21-Hydrogensuccinate4-PREGNEN-11β, 21-DIOL-3, 20-DIONE 21-HEMISUCCINATEPregn-4-ene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-, (11β)-
T202021Q272808974-[(11-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoic acid4-[(11beta-Hydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoic acidPREGN-4-ENE-3,20-DIONE, 21-(3-CARBOXY-1-OXOPROPOXY)-11-HYDROXY-, (11.BETA.)-
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 860
Physicochemical properties
- Boiling point
- 651.3 · 651.3±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 4.29 · 4.29±0.17(Predicted)
- FDA UNII
- 50 V885SP · IU50V885SP
Chemistry & industry
Applications
UsesCorticosterone 21-Hemisuccinate is an adrenocortical steroid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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