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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38O6
Molecular Weight 470.5977
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES-CICLESONIDE

SMILES

[H][C@@]12C[C@H]3O[C@H](O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)C=C[C@]45C)C6CCCCC6

InChI

InChIKey=OXPLANUPKBHPMS-ZXBNPROVSA-N
InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25+,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H38O6
Molecular Weight 470.5977
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:28:17 GMT 2023
Edited
by admin
on Fri Dec 15 16:28:17 GMT 2023
Record UNII
8DL7FH77SF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES-CICLESONIDE
Common Name English
CICLESONIDE IMPURITY B [EP IMPURITY]
Common Name English
(2′R)-2′-cyclohexyl-11β,21-dihydroxy-16βH-[1,3]dioxolo[4′,5′:16,17]pregna-1,4-diene-3,20-dione
Systematic Name English
(11β,16α)-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione
Systematic Name English
DESISOBUTYRYLCICLESONIDE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 16,17-(((R)-CYCLOHEXYLMETHYLENE)BIS(OXY))-11,21-DIHYDROXY-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
8DL7FH77SF
Created by admin on Fri Dec 15 16:28:17 GMT 2023 , Edited by admin on Fri Dec 15 16:28:17 GMT 2023
PRIMARY
CAS
161115-59-9
Created by admin on Fri Dec 15 16:28:17 GMT 2023 , Edited by admin on Fri Dec 15 16:28:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID801043142
Created by admin on Fri Dec 15 16:28:17 GMT 2023 , Edited by admin on Fri Dec 15 16:28:17 GMT 2023
PRIMARY
PUBCHEM
6918281
Created by admin on Fri Dec 15 16:28:17 GMT 2023 , Edited by admin on Fri Dec 15 16:28:17 GMT 2023
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Des-ciclesonide has anti-inflammatory activity with affinity for the glucocorticoid receptor that is 120 times higher than the parent compound.
Related Record Type Details
PARENT -> IMPURITY
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
ORAL BIOAVAILABILITY PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC INTRAVENOUS ADMINISTRATION