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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H44O7
Molecular Weight 540.6876
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ciclesonide, (S)-

SMILES

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

InChI

InChIKey=LUKZNWIVRBCLON-MDMPFDFKSA-N
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

HIDE SMILES / InChI

Molecular Formula C32H44O7
Molecular Weight 540.6876
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:57:33 UTC 2023
Edited
by admin
on Fri Jul 07 00:57:33 UTC 2023
Record UNII
9A6M4LVV4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ciclesonide, (S)-
Common Name English
Pregna-1,4-diene-3,20-dione, 16,17-[[(S)-cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11β,16α)-
Systematic Name English
(2′S)-2′-cyclohexyl-11β-hydroxy-3,20-dioxo-16βH-[1,3]dioxolo[4′,5′:16,17]pregna-1,4-dien-21-yl 2-methylpropanoate
Systematic Name English
CICLESONIDE IMPURITY A [EP IMPURITY]
Common Name English
(11β,16α)-16,17-[[(S)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione
Systematic Name English
S-epimer of ciclesonide
Common Name English
Code System Code Type Description
FDA UNII
9A6M4LVV4U
Created by admin on Fri Jul 07 00:57:33 UTC 2023 , Edited by admin on Fri Jul 07 00:57:33 UTC 2023
PRIMARY
PUBCHEM
11387147
Created by admin on Fri Jul 07 00:57:33 UTC 2023 , Edited by admin on Fri Jul 07 00:57:33 UTC 2023
PRIMARY
CAS
141845-81-0
Created by admin on Fri Jul 07 00:57:33 UTC 2023 , Edited by admin on Fri Jul 07 00:57:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY