Beclomethasone

enlarge

Systematic / IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-Chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

ID: Reference1899

Other Names: Beclometasonum;
9-Chloro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione;
9α-Chloro-16β-methylprednisolone;
Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11β,16β)-;
(11β,16β)-9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione ; more

Formula: C22H29ClO5

Class: Therapeutics/Prescription Drugs

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 39
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/15/2015 3:58:34 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
InChI Key NBMKJKDGKREAPL-DVTGEIKXSA-N
Canonical SMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C
CAS 4419390
Splash
Other Names Beclometasonum;
9-Chloro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione;
9α-Chloro-16β-methylprednisolone;
Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11β,16β)-;
(11β,16β)-9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione;
9α-Chloro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione;
9α-Chloro-16β-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione

In Other Databases

ChemSpider 19276
DrugBank APRD00564
PubChem 20469
KEGG C06842; D07495
ChemIDPlus 004419390
ChEMBL CHEMBL1586
ChEBI CHEBI:3001
Wikipedia Beclometason (DE)