Clobetasone butyrate

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Systematic / IUPAC Name: [(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate

ID: Reference1989

Other Names: Eumovate;
Molivate;
Clobetasone 17-butyrate;
21-Chloro-9-fluoro-17-hydroxy-16-β-methylpregna-1,4-diene,3,11,20-trione butyrate;
21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione 17-butyrate ; more

Formula: C26H32ClFO5

Class: Therapeutics/Prescription Drugs

Spectral Data

Clobetasone butyrate 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/13/2015 10:58:14 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1
InChI Key FBRAWBYQGRLCEK-AVVSTMBFSA-N
Canonical SMILES CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CCl
CAS 25122570
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Other Names Eumovate;
Molivate;
Clobetasone 17-butyrate;
21-Chloro-9-fluoro-17-hydroxy-16-β-methylpregna-1,4-diene,3,11,20-trione butyrate;
21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione 17-butyrate;
21-Chloro-9-fluoro-17-hydroxy-16β-methylpregna-1,4-diene-3,11,20-trione 17-butyrate;
Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-17-hydroxy-16-β-methyl-, butyrate;
Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)-, (16-β)-;
21-Chloro-9-fluoro-17-hydroxy-16β-methylpregna-1,4-diene-3,11,20-trione butyrate

In Other Databases

PubChem 71386
KEGG D01273
ChEMBL CHEMBL577673
ChemSpider 64481
ChemIDPlus 025122570