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beclomethasone

Go to external page http://purl.obolibrary.org/obo/CHEBI_3001

A 17alpha-hydroxy steroid that is prednisolone in which the hydrogens at the 9alpha and 16beta positions are substituted by a chlorine and a methyl group, respectively.

Term info

Label

beclomethasone

Synonyms
  • (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • Beclomethasone
database cross reference
Subsets

3_STAR

INN
beclometasonum [ ChemIDplus ]

INN
beclometasone [ ChemIDplus ]

INN
beclometasona [ ChemIDplus ]

IUPAC NAME
(11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione [ IUPAC ]

charge

0

formula

C22H29ClO5

has obo namespace

chebi_ontology

has related synonym

beclometasone, beclometasonum, 9-chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione, 9alpha-chloro-16beta-methylprednisolone, beclometasona

id

CHEBI:3001

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

inchikey

NBMKJKDGKREAPL-DVTGEIKXSA-N

mass

408.91536

monoisotopicmass

408.17035

smiles

[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C