Prednisolone 21-hemisuccinate

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Systematic / IUPAC Name: 4-{[(11β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoic acid

ID: Reference7172

Other Names: Prednisolone (hemisuccinate);
Prednisolone 21-(hydrogen succinate);
Prednisolone hemisuccinate;
(11β)-21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione;
11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate) ; more

Formula: C25H32O8

Class: Therapeutics/Prescription Drugs Sports Doping Drugs Steroids/Vitamins/Hormones

Spectral Data

Prednisolone 21-hemisuccinate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/12/2017 1:54:39 PM
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Identificators

InChI InChI=1S/C25H32O8/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
InChI Key APGDTXUMTIZLCJ-CGVGKPPMSA-N
Canonical SMILES CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=CC34C)O
CAS 2920867
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Other Names Prednisolone (hemisuccinate);
Prednisolone 21-(hydrogen succinate);
Prednisolone hemisuccinate;
(11β)-21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione;
11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate);
4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid;
Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, (11β)-

In Other Databases

ChEMBL CHEMBL485659
ChemSpider 571099
KEGG D02156
PubChem 656804