Terminology Service for NFDI4Health
JSON

alclometasone dipropionate

Go to external page http://purl.obolibrary.org/obo/CHEBI_31184

A prednisolone compound having an alpha-chloro substituent at the 7-position, an alpha-methyl substituent at the 16-position and O-propanoyl groups at the 17- and 21-positions.

Term info

Label

alclometasone dipropionate

Synonyms
  • (7alpha,11beta,16alpha)-7-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate
  • Alclometasone dipropionate
database cross reference
Subsets

3_STAR

IUPAC NAME
(7alpha,11beta,16alpha)-7-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate [ IUPAC ]

charge

0

formula

C28H37ClO7

has obo namespace

chebi_ontology

id

CHEBI:31184

inchi

InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1

inchikey

DJHCCTTVDRAMEH-DUUJBDRPSA-N

mass

521.04200

monoisotopicmass

520.22278

smiles

[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C