Dexamethasone phosphate

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Systematic / IUPAC Name: (11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate

ID: Reference2969

Other Names: Betnelan phosphate;
Dexamethasone 21-orthophosphate;
Dexamethasone-21-dihydrogen-phosphate;
Dexamethasone-21-phosphate;
Hexadrol phosphate ; more

Formula: C22H30FO8P

Class: Therapeutics/Prescription Drugs

Spectral Data

Dexamethasone phosphate 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 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/30/2015 1:36:42 PM
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Identificators

InChI InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
InChI Key VQODGRNSFPNSQE-CXSFZGCWSA-N
Canonical SMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C
CAS 312936
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Other Names Betnelan phosphate;
Dexamethasone 21-orthophosphate;
Dexamethasone-21-dihydrogen-phosphate;
Dexamethasone-21-phosphate;
Hexadrol phosphate;
Neodecadron;
Oradexon phosphate;
Wymesone;
{2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl} dihydrogen phosphate ;
9-Fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate);
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-β,17,21-trihydroxy-16-α-methyl-, 21-(dihydrogen phosphate)

In Other Databases

ChemSpider 9030
KEGG D00975; D07802
ChemIDPlus 000312936; 002392394; 001869927
PubChem 9400
ChEBI CHEBI:68637