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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:31397 - Ciclesonide
Main
ChEBI Ontology
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ChEBI Name
Ciclesonide
ChEBI ID
CHEBI:31397
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formulae
C32H44O7
C32H44O7
Net Charge
0
Average Mass
540.689
Monoisotopic Mass
540.30870
InChI
InChI=1S/C32H44O7/c1-
18(2)
28(36)
37-
17-
25(35)
32-
26(38-
29(39-
32)
19-
8-
6-
5-
7-
9-
19)
15-
23-
22-
11-
10-
20-
14-
21(33)
12-
13-
30(20,3)
27(22)
24(34)
16-
31(23,32)
4/h12-
14,18-
19,22-
24,26-
27,29,34H,5-
11,15-
17H2,1-
4H3/t22-
,23-
,24-
,26+,27+,29+,30-
,31-
,32+/m0/s1
InChIKey
LUKZNWIVRBCLON-GXOBDPJESA-N
SMILES
C(COC(C(C)
C)
=O)
(=O)
[C@]
12[C@]
3(C)
[C@@]
(C[C@]
1(O[C@H]
(O2)
C4CCCCC4)
[H]
)
([C@]
5([C@]
([C@H]
(C3)
O)
([C@]
6(C)
C(CC5)
=CC(C=C6)
=O)
[H]
)
[H]
)
[H]
ChEBI Ontology
Outgoing
Ciclesonide (
CHEBI:31397
)
is a
organic molecular entity (
CHEBI:50860
)
Synonyms
Sources
alvesco
DrugCentral
Ciclesonide
KEGG COMPOUND
omnaris
DrugCentral
Manual Xrefs
Databases
633
DrugCentral
D01703
KEGG DRUG
View more database links
Registry Number
Type
Source
126544-47-6
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017